SCHEMBL924644

SCHEMBL924644

CNc1nc(C)c(-c2ccccn2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.50
CDK4 P11802 6/20 0.50
CCNA2 P20248 3/20 0.50
PLK1 P53350 1/20 0.50
KDM4E B2RXH2 6/20 0.47
GAA P10253 3/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
TRPV4 Q9HBA0 1/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
CDK1 P06493 4/20 0.45
CDK9 P50750 4/20 0.45
CDK7 P50613 3/20 0.45

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
SCHEMBL18469879 0.86 NPC1 (0.45) CDK4KDM4EGAANPC1RAB9A
SCHEMBL29941155 0.81 CDK2 (0.53) CDK2CDK4CCNA2PLK1TRPV4
SCHEMBL925362 0.80 MAPT (0.48) KDM4EGAANPC1RAB9ATRPV4
SCHEMBL925981 0.77 MAPT (0.60) CDK2CDK4PLK1KDM4EGAA
SCHEMBL4169064 0.75 CDK2 (0.68) CDK2CDK4CCNA2PLK1KDM4E
SCHEMBL10668650 0.75 LMNA (0.57) KDM4EGAANPC1RAB9AKMT2A
SCHEMBL10669262 0.74 KMT2A (0.56) CDK2CDK4CCNA2PLK1KDM4E
SCHEMBL23440063 0.74 SCD (0.60) KDM4EGAANPC1RAB9AKMT2A
SCHEMBL1888365 0.73 CDK2 (0.55) CDK2CDK4CCNA2PLK1KMT2A
SCHEMBL10666777 0.73 ALDH1A1 (0.50) CDK2CDK4CCNA2PLK1KDM4E

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 CDK2 66/4885CDK4 48/4885CCNA2 896/4885
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors MTOR, PIK3R5, PIK3CA CDK2 60/4885CDK4 77/4885CCNA2 1736/4885

“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.