SCHEMBL2846013

SCHEMBL2846013

NC1=NC(N)(c2ccccc2)C=CN1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.42
BACE2 Q9Y5Z0 2/20 0.42
CYP19A1 P11511 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
REN P00797 1/20 0.32
APP P05067 1/20 0.32
PNMT P11086 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
HTR5A P47898 2/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4286563 0.84 GRM4 (0.35) BACE1MAOAMAOB
SCHEMBL4292713 0.84 TAAR1 (0.35)
SCHEMBL4281843 0.84 KDM4E (0.35) BACE1BACE2MAOAMAOBLMNA
SCHEMBL4286923 0.80 TRPA1 (0.40) BACE1BACE2MAOAMAOBCYP2D6
SCHEMBL10480092 0.74 BACE1 (0.39) BACE1BACE2
SCHEMBL4277589 0.73 LMNA (0.42) POLBCYP2D6LMNACYP2C9KMT2A
SCHEMBL884890 0.72 KDM1A (0.39) POLBLMNABLMKMT2A
SCHEMBL4286812 0.71 MAPT (0.46) MAOAMAOBAPPCYP2D6LMNA
SCHEMBL14656128 0.69 BACE1 (0.42) BACE1BACE2CYP19A1MAOAMAOB
SCHEMBL9718903 0.68 BACE1 (0.41) BACE1BACE2MAOAMAOBREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
US-6946478-B2 Compounds ASTRAZENECA AB (SE) 2005-09-20 US claimed
US-20030134840-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2003-07-17 US claimed
JP-2002540204-A 2002-11-26 JP claimed
EP-1165545-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-01-02 EP claimed
WO-2000058305-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-10-05 WO claimed
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2024-05-16 US disclosed
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2023-03-30 US disclosed
US-20210009531-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2021-01-14 US disclosed
US-20200115347-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2020-04-16 US disclosed
US-20190270713-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2019-09-05 US disclosed
US-20190016688-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2019-01-17 US disclosed
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2018-05-24 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
US-6946478-B2 Compounds ASTRAZENECA AB (SE) 2005-09-20 US disclosed
US-20030134840-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2003-07-17 US disclosed
US-6518286-B1 Piperidinyl compounds for modulation of immune and inflammatory responses in various diseases and disorders, including asthma ASTRAZENECA AB (SE) 2003-02-11 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 (10 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-20210009531-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 BACE1 2589/4885BACE2 3491/4885CYP19A1 3680/4885
US-20030134840-A1 Novel compounds RPS4X, RPS4Y1, CYP4B1 BACE1 1595/4885BACE2 2349/4885CYP19A1 298/4885
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 BACE1 4402/4885BACE2 4502/4885CYP19A1 3469/4885
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 BACE1 2589/4885BACE2 3491/4885CYP19A1 3680/4885
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 BACE1 2589/4885BACE2 3491/4885CYP19A1 3680/4885
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 BACE1 2589/4885BACE2 3491/4885CYP19A1 3680/4885
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases P2RX3, P2RX2, P2RX1 BACE1 4784/4885BACE2 4826/4885CYP19A1 4519/4885
US-20190016688-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 BACE1 2589/4885BACE2 3491/4885CYP19A1 3680/4885
US-20200115347-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 BACE1 2589/4885BACE2 3491/4885CYP19A1 3680/4885
US-20190270713-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 BACE1 2628/4885BACE2 3458/4885CYP19A1 3631/4885

“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.