SCHEMBL3273663

SCHEMBL3273663

CC(=O)Nc1nc2c(s1)-c1c(c(C(=O)NN)nn1-c1ccccc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FHIT P49789 1/20 0.42
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CCNA1 P78396 4/20 0.41
AURKA O14965 2/20 0.41
PIK3CG P48736 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 1/20 0.39
RIPK1 Q13546 4/20 0.39
ADORA1 P30542 1/20 0.39
DYRK1A Q13627 1/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 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
SCHEMBL3273680 0.90 PIK3CG (0.44) CCNA2CDK2CCNA1AURKAPIK3CG
SCHEMBL2143715 0.88 LMNA (0.45) CCNA2CDK2CCNA1AURKAPIK3CG
SCHEMBL14365601 0.87 ALDH1A1 (0.45) CCNA2CDK2CCNA1AURKAPIK3CG
SCHEMBL2143746 0.83 RIPK1 (0.45) CCNA2CDK2CCNA1AURKAPIK3CG
SCHEMBL5036594 0.83 PIK3CG (0.41) CCNA2CDK2CCNA1AURKAPIK3CG
SCHEMBL11942164 0.83 PIK3CG (0.38) CCNA2CDK2CCNA1AURKAPIK3CG
SCHEMBL10103790 0.83 MAPT (0.43) CCNA2CDK2CCNA1AURKAPIK3CG
SCHEMBL10103795 0.81 CA1 (0.40) CCNA2CDK2CCNA1AURKAPIK3CG
SCHEMBL14365603 0.79 NPC1 (0.45) CCNA2CDK2CCNA1AURKAPIK3CG
SCHEMBL14365602 0.79 PIK3CG (0.38) CCNA2CDK2CCNA1AURKAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 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
EP-1799690-B1 THIAZOLYL-DIHYDRO INDAZOLES BOEHRINGER INGELHEIM INT (DE) 2008-04-16 EP disclosed
US-20060100254-A1 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) 2006-05-11 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 (2 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-20060100254-A1 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 CDK1, MAPK1, NFATC1 FHIT 4884/4885CCNA2 146/4885CDK2 5/4885
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES MKI67, CYP11B1, IGF1R FHIT 4741/4885CCNA2 105/4885CDK2 52/4885

“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.