SCHEMBL925981

SCHEMBL925981

Cc1nc(N)sc1-c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
ALDH1A1 P00352 4/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
GAA P10253 4/20 0.60
KDM4E B2RXH2 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
USP2 O75604 2/20 0.60
HSD17B10 Q99714 2/20 0.60
HSP90AA1 P07900 1/20 0.60
HSP90AB1 P08238 1/20 0.60
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
APEX1 P27695 1/20 0.55
HTT P42858 1/20 0.55
MCL1 Q07820 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TGFBR1 P36897 8/20 0.52

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
SCHEMBL26097473 0.79 TGFBR1 (0.48) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL18006555 0.79 MAPT (0.65) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL925682 0.78 CCR1 (0.52) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL924763 0.77 TGFBR1 (0.53) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL924644 0.77 CDK2 (0.50) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL14825063 0.76 NPC1 (1.00) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL3661251 0.76 CDK4 (0.57) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL22684842 0.76 CDK4 (0.76) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL11796387 0.76 TGFBR1 (0.56) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL18469879 0.76 NPC1 (0.45) MAPTALDH1A1NPC1RAB9AMEN1

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-4735957-A ANTIULCER AGENTS, CARDIOTONIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-05 US disclosed
US-4649146-A ANTIULCER FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-10 US disclosed
EP-0117082-A2 Thiazole derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-08-29 EP 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 MAPT 2307/4885ALDH1A1 1838/4885NPC1 1535/4885
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors MTOR, PIK3R5, PIK3CA MAPT 1887/4885ALDH1A1 2310/4885NPC1 891/4885

“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.