SCHEMBL925127

SCHEMBL925127

Cc1ccnc(-c2sc(Nc3ccccn3)nc2C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
TRPV4 Q9HBA0 1/20 0.56
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
USP2 O75604 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
GAA P10253 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KCNN1 Q92952 2/20 0.54
KCNN2 Q9H2S1 2/20 0.54
KCNN3 Q9UGI6 2/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
SLC2A1 P11166 2/20 0.53

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
SCHEMBL10670650 0.77 NPC1 (0.57) NPC1RAB9ATRPV4MEN1KMT2A
SCHEMBL24358148 0.74 KCNN1 (0.64) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL7231527 0.74 CYP1A2 (0.43) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL10667475 0.73 PIK3CA (0.41) NPC1MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL7239873 0.73 NR2F2 (0.41) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7239807 0.73 ALDH1A1 (0.43) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL5174953 0.72 KCNN1 (0.61) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5750559 0.72 KDR (0.56) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL924644 0.72 CDK2 (0.50) NPC1RAB9ATRPV4MEN1KMT2A
SCHEMBL7240091 0.72 CDK4 (0.40) NPC1MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors ASTRAZENECA AB (SE) 2008-06-05 US claimed
EP-1841763-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS AstraZeneca AB (SE) 2007-10-10 EP claimed
WO-2006051270-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS P13K INHIBITORS ASTRAZENECA AB (SE) 2006-05-18 WO claimed
US-7868188-B2 5-heteroaryl thiazoles and their use as PI3K inhibitors ASTRAZENECA AB (SE) 2011-01-11 US disclosed
EP-1841763-B1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2010-06-30 EP disclosed
US-20090076009-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-2016075-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2009-01-21 EP disclosed
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors ASTRAZENECA AB (SE) 2008-06-05 US disclosed
WO-2007129044-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
EP-1841763-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS AstraZeneca AB (SE) 2007-10-10 EP disclosed
WO-2006051270-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS P13K INHIBITORS ASTRAZENECA AB (SE) 2006-05-18 WO disclosed
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 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 (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-20090076009-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS MTOR, RPTOR, JAK2 NPC1 1535/4885RAB9A 997/4885TRPV4 3225/4885
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors MTOR, PIK3R5, PIK3CA NPC1 891/4885RAB9A 675/4885TRPV4 4647/4885

“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.