SCHEMBL10103040

SCHEMBL10103040

COC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1cccnc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 3/20 0.40
SCD O00767 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CHRM4 P08173 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PIK3CG P48736 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 2/20 0.39
CHRM5 P08912 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL798617 0.90 PIK3CG (0.49) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3273645 0.89 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3277195 0.88 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3277199 0.87 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10111227 0.86 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10103042 0.85 RAB9A (0.42) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL12598915 0.80 TSHR (0.43) ALDH1A1NPC1RAB9APOLBTP53
SCHEMBL2144189 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3309734 0.77 KDM4E (0.40) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3273615 0.77 LMNA (0.39) ALDH1A1NPC1RAB9APOLBTP53

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007774-B1 THIAZOLYLDIHYDROINDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-07-25 EP disclosed
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-7902183-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-08 US disclosed
US-7893049-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-22 US disclosed
US-7893049-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-22 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-20080081802-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
US-20080081802-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
US-20070270401-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 US disclosed
WO-2007113246-A1 THIAZOLYLDIHYDROINDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (3 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-20070270401-A1 Thiazolyl-Dihydro-Indazole MKI67, INSR, CCNT1 ALDH1A1 44/4885MEN1 700/4885KMT2A 3564/4885
US-20080081802-A1 Thiazolyl-Dihydro-Indazole MKI67, CCNT1, CCNA1 ALDH1A1 44/4885MEN1 456/4885KMT2A 3403/4885
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES MKI67, CYP11B1, IGF1R ALDH1A1 41/4885MEN1 796/4885KMT2A 3678/4885

“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.