SCHEMBL1645967

SCHEMBL1645967

Nc1c[nH]nc1-c1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.57
ALDH1A1 P00352 10/20 0.57
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
HPGD P15428 7/20 0.57
KDM4E B2RXH2 7/20 0.57
HSD17B10 Q99714 5/20 0.57
MAPT P10636 5/20 0.57
NPSR1 Q6W5P4 3/20 0.57
GAA P10253 2/20 0.57
GLA P06280 1/20 0.57
TP53 P04637 4/20 0.56
PKM P14618 3/20 0.56
ABCB11 O95342 1/20 0.56
FGFR1 P11362 1/20 0.54
FLT1 P17948 1/20 0.54
POLB P06746 1/20 0.53
GFER P55789 1/20 0.53
USP2 O75604 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL12659577 0.81 NPC1 (0.57) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL13596393 0.81 NPC1 (0.56) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL28500913 0.79 RAB9A (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL5951395 0.79 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL30061331 0.79 RAB9A (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL28498751 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL30061152 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL687305 0.79 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL31599727 0.77 NUDT1 (0.53) FGFR1FLT1NUDT1
SCHEMBL5952765 0.77 NPC1 (0.48) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 US claimed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 US claimed
WO-2014064134-A1 3,4-DISUBSTITUTED 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK F. HOFFMANN-LA ROCHE AG (CH) 2014-05-01 WO claimed
WO-2025111251-A1 COMPOUNDS THAT INHIBIT POLO-LIKE KINASE 4 EXELIXIS, INC. (US) 2025-05-30 WO disclosed
CN-112047932-B Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2022-11-08 CN disclosed
CN-112047932-A Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2020-12-08 CN disclosed
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 US disclosed
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 US disclosed
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 US disclosed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
US-20100055094-A1 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA ASTEX THERAPEUTICS LIMITED (GB) 2010-03-04 US disclosed
US-20100055094-A1 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA ASTEX THERAPEUTICS LIMITED (GB) 2010-03-04 US disclosed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 US disclosed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO 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 (4 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-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET SMN1; SMN2 3461/4885ALDH1A1 3042/4885NPC1 3367/4885
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK SYK, BTK, IRAK4 SMN1; SMN2 4821/4885ALDH1A1 2688/4885NPC1 4136/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 SMN1; SMN2 4105/4885ALDH1A1 1157/4885NPC1 2920/4885
US-20100055094-A1 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA LDHA, LDHB, PDK4 SMN1; SMN2 2700/4885ALDH1A1 536/4885NPC1 2017/4885

“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.