SCHEMBL1136767

SCHEMBL1136767

Nc1ccc(N)c(Cc2cnc(Nc3ccccn3)s2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.48
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FLT1 P17948 1/20 0.39
KCNH2 Q12809 1/20 0.39
LCK P06239 2/20 0.39
NTRK1 P04629 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL5724777 0.77 LMNA (0.63) KDRCCNB2CCNE2CDK1CDK4
SCHEMBL5879585 0.76 KDR (0.60) KDRCCNB2CCNE2CDK1CDK4
SCHEMBL12362944 0.76 KDR (0.58) KDRCCNB2CCNE2CDK1CDK4
SCHEMBL6179056 0.74 KDR (0.65) KDRCCNB2CCNE2CDK1CDK4
SCHEMBL2868326 0.74 KDR (0.65) KDRCCNB2CCNE2CDK1CDK4
SCHEMBL2866475 0.74 KDR (0.60) KDRCCNB2CCNE2CDK1CDK4
Hydrochloric Acid SCHEMBL2861232 0.72 KDR (0.63) KDRCCNB2CCNE2CDK1CDK4
SCHEMBL28291973 0.72 ALDH1A1 (0.48) KDRKCNH2LMNA
SCHEMBL6794320 0.69 L3MBTL1 (0.57) LMNA
SCHEMBL939399 0.69 KDR (0.57) KDRCCNB2CCNE2CDK1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989477-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 US disclosed
EP-1737451-B1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-7714138-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 US disclosed
US-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-26 US disclosed
US-7459562-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-03 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-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 KDR 472/4885CCNB2 287/4885CCNE2 383/4885
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors CDK2, MAP3K19, CDK1 KDR 472/4885CCNB2 287/4885CCNE2 383/4885
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 KDR 472/4885CCNB2 287/4885CCNE2 383/4885

“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.