SCHEMBL1493797

SCHEMBL1493797

COc1cc(C(C)C)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
HTR2A P28223 3/20 0.41
TAAR1 Q96RJ0 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL11842976 0.88 MAPT (0.43) MAPTHTR2ATAAR1ALDH1A1GAA
SCHEMBL23268312 0.86 MAPT (0.42) MAPTHTR2ATAAR1ALDH1A1GAA
SCHEMBL29130999 0.86 MAPT (0.42) MAPTHTR2ATAAR1ALDH1A1GAA
SCHEMBL29427031 0.86 MAPT (0.42) MAPTHTR2ATAAR1ALDH1A1GAA
SCHEMBL16357713 0.84 MAPT (0.41) MAPTHTR2ATAAR1ALDH1A1GAA
SCHEMBL30753311 0.84 HTR2A (0.46) MAPTHTR2ATAAR1
SCHEMBL30602399 0.84 TSHR (0.42) MAPT
SCHEMBL8217961 0.84 HTR2A (0.46) MAPTHTR2ATAAR1
SCHEMBL15052824 0.84 HTR2A (0.46) MAPTHTR2ATAAR1
SCHEMBL26956118 0.84 MAPT (0.41) MAPTHTR2ATAAR1ALDH1A1GAA

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 110 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-11597733-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2023-03-07 US disclosed
EP-3355889-B1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH AFFERENT PHARMACEUTICALS INC (US) 2023-02-15 EP disclosed
EP-3355889-B1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH AFFERENT PHARMACEUTICALS INC (US) 2023-02-15 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
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 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
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF HDAC4 2497/4885HDAC8 2125/4885MAPT 574/4885
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 HDAC4 4235/4885HDAC8 3894/4885MAPT 4089/4885
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 HDAC4 4559/4885HDAC8 4432/4885MAPT 4524/4885
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 HDAC4 4235/4885HDAC8 3894/4885MAPT 4089/4885
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 HDAC4 3894/4885HDAC8 4022/4885MAPT 4848/4885
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 HDAC4 4235/4885HDAC8 3894/4885MAPT 4089/4885
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases ABCB11, SQLE, FURIN HDAC4 975/4885HDAC8 1580/4885MAPT 1363/4885
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases P2RX3, P2RX2, P2RX1 HDAC4 3894/4885HDAC8 4022/4885MAPT 4848/4885
US-20240285620-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH P2RX3, P2RX2, P2RX5 HDAC4 3225/4885HDAC8 3625/4885MAPT 4223/4885

“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.