SCHEMBL1493852

SCHEMBL1493852

COc1cc(C(C)C)c(O)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
ALOX15 P16050 2/20 0.44
ALOX12 P18054 1/20 0.44
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TPMT P51580 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.39
PDK1 Q15118 1/20 0.39
HTT P42858 1/20 0.39
EGFR P00533 1/20 0.39
G6PD P11413 1/20 0.39
SNCA P37840 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4103613 0.81 ALDH1A1 (0.48) TDP1ALOX15ALDH1A1CYP3A4KDM4E
SCHEMBL12436736 0.80 ALDH1A1 (0.54) TDP1ALOX15ALDH1A1POLBCYP3A4
SCHEMBL15453114 0.79 ALOX15 (0.43) TDP1ALOX15ALOX12ALDH1A1POLB
SCHEMBL15926489 0.78 ALOX15 (0.42) TDP1ALOX15ALOX12ALDH1A1POLB
SCHEMBL15453116 0.78 ALOX15 (0.42) TDP1ALOX15ALOX12ALDH1A1POLB
Ammonia Solution, Strong SCHEMBL27817247 0.78 ALDH1A1 (0.53) TDP1ALOX15ALDH1A1POLBCYP3A4
SCHEMBL14206877 0.78 ALDH1A1 (0.46) TDP1ALOX15ALDH1A1POLBCYP3A4
SCHEMBL9024763 0.78 ALDH1A1 (0.46) TDP1ALOX15ALDH1A1CYP3A4KDM4E
SCHEMBL9005383 0.78 ALDH1A1 (0.48) TDP1ALOX15ALDH1A1CYP3A4KDM4E
SCHEMBL2678872 0.78 ALDH1A1 (0.51) TDP1ALOX15ALDH1A1POLBCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2025-02-27 US disclosed
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2025-01-23 US disclosed
US-20240285620-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH Afferent Pharmaceuticals, Inc. (US) 2024-08-29 US disclosed
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2024-05-16 US disclosed
EP-4215182-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH Afferent Pharmaceuticals Inc. (US) 2023-07-26 EP disclosed
EP-4215182-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH Afferent Pharmaceuticals Inc. (US) 2023-07-26 EP disclosed
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2023-03-30 US disclosed
US-20220143015-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH Afferent Pharmaceuticals, Inc. (US) 2022-05-12 US disclosed
EP-3981406-A1 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS Afferent Pharmaceuticals Inc. (US) 2022-04-13 EP disclosed
US-11260056-B2 Diaminopyrimidine P2X3 and P2X2/3 receptor modulators for use in the treatment of cough Afferent Pharmaceuticals, Inc. (US) 2022-03-01 US disclosed
US-7858632-B2 Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine ROCHE PALO ALTO LLC (US) 2010-12-28 US disclosed
EP-1924264-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025925-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
WO-2007025925-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases ROCHE PALO ALTO LLC 2007-03-01 US disclosed
EP-1725540-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005095359-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-13 WO disclosed
US-20050209260-A1 Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine ROCHE PALO ALTO LLC 2005-09-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 TDP1 561/4885ALOX15 2441/4885ALOX12 2396/4885
US-20220143015-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH P2RX3, P2RX2, P2RX5 TDP1 2889/4885ALOX15 1954/4885ALOX12 1834/4885
US-20050209260-A1 Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine P2RX3, P2RX2, P2RX1 TDP1 521/4885ALOX15 2442/4885ALOX12 2586/4885
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 TDP1 561/4885ALOX15 2441/4885ALOX12 2396/4885
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 TDP1 1551/4885ALOX15 1823/4885ALOX12 1760/4885
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 TDP1 561/4885ALOX15 2441/4885ALOX12 2396/4885
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases P2RX3, P2RX2, P2RX1 TDP1 1551/4885ALOX15 1823/4885ALOX12 1760/4885
US-20240285620-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH P2RX3, P2RX2, P2RX5 TDP1 2889/4885ALOX15 1954/4885ALOX12 1834/4885
US-11260056-B2 Diaminopyrimidine P2X3 and P2X2/3 receptor modulators for use in the treatment of cough P2RX3, P2RX2, P2RX5 TDP1 2889/4885ALOX15 1954/4885ALOX12 1834/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.