SCHEMBL939399

SCHEMBL939399

CCCCCc1cnc(Nc2ccccn2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.57
CCNE1 P24864 2/20 0.53
CDK2 P24941 2/20 0.53
CDK5 Q00535 1/20 0.53
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
LCK P06239 2/20 0.44
FDPS P14324 1/20 0.43
ALOX12 P18054 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FLT1 P17948 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL6179056 0.84 KDR (0.65) KDRCCNE1CDK2CDK5CCNB2
SCHEMBL5879585 0.79 KDR (0.60) KDRCCNE1CDK2CCNB2CCNE2
SCHEMBL2868326 0.79 KDR (0.65) KDRCCNE1CDK2CCNB2CCNE2
SCHEMBL2866475 0.79 KDR (0.60) KDRCCNE1CDK2CCNB2CCNE2
Hydrochloric Acid SCHEMBL2861232 0.77 KDR (0.63) KDRCCNE1CDK2CCNB2CCNE2
SCHEMBL5724777 0.76 LMNA (0.63) KDRCCNE1CDK2CCNB2CCNE2
SCHEMBL22619460 0.75 CDK2 (0.53) CCNE1CDK2CDK5FDPSSMN1; SMN2
SCHEMBL13701559 0.73 KDR (1.00) KDRCCNE1CDK2CCNB2CCNE2
SCHEMBL3502567 0.71 KDR (0.53) KDRCCNE1CDK2CCNB2CCNE2
SCHEMBL935595 0.71 KDR (0.40) KDRCDK5ALOX12HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KDR 784/4885CCNE1 385/4885CDK2 66/4885
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors MTOR, PIK3R5, PIK3CA KDR 511/4885CCNE1 716/4885CDK2 60/4885

“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.