SCHEMBL4520161

SCHEMBL4520161

Nc1nc2c(s1)-c1c(cnn1-c1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.46
CDK2 P24941 4/20 0.46
CDK9 P50750 4/20 0.46
CDK1 P06493 3/20 0.46
CDK4 P11802 3/20 0.46
CCNB1 P14635 3/20 0.46
CCND1 P24385 3/20 0.46
CCNE1 P24864 3/20 0.46
CDK7 P50613 3/20 0.46
CCNH P51946 3/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL2144157 0.88 MAPT (0.44) CCNT1CDK2CDK9CDK1CDK4
SCHEMBL2143732 0.82 CCNT1 (0.46) CCNT1CDK2CDK9CDK1CDK4
SCHEMBL5558005 0.82 CA2 (0.41) CDK2MAPTALDH1A1NPC1RAB9A
SCHEMBL4510261 0.79 NPC1 (0.42) CDK2ALDH1A1NPC1RAB9ATP53
SCHEMBL2143728 0.78 DRD4 (0.41) CCNT1CDK2CDK9CDK1CDK4
SCHEMBL3957289 0.78 CA2 (0.39) CDK2MAPTALDH1A1NPC1RAB9A
SCHEMBL5556915 0.77 ALDH1A1 (0.41) CDK2MAPTALDH1A1NPC1RAB9A
SCHEMBL2143831 0.77 PIK3CG (0.46) CDK2MAPTALDH1A1NPC1RAB9A
SCHEMBL2143777 0.77 NPC1 (0.41) CDK2MAPTALDH1A1NPC1RAB9A
SCHEMBL5552478 0.75 ALDH1A1 (0.41) CDK2ALDH1A1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US claimed
US-8232286-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) 2012-07-31 US disclosed
US-8232286-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) 2012-07-31 US disclosed
US-8232286-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) 2012-07-31 US disclosed
EP-2343303-A1 PI3-kinase inhibitors Boehringer Ingelheim International GmbH (DE) 2011-07-13 EP disclosed
US-20090156554-A1 P13-KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-20090156554-A1 P13-KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
WO-2007115930-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
US-20060106013-A1 PI3-kinases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-18 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 (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-20090156554-A1 P13-KINASES PIK3C3, PDPK1, MAP3K13 CCNT1 665/4885CDK2 239/4885CDK9 589/4885
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA CCNT1 1375/4885CDK2 658/4885CDK9 466/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD CCNT1 2196/4885CDK2 338/4885CDK9 490/4885

“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.