SCHEMBL4907775

SCHEMBL4907775

CCOC(=O)c1cn2ncc(C#N)c(Oc3ccc(N)cc3F)c2c1C

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 14/20 0.64
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL4904867 0.86 MAP2K1 (0.60) MAP2K1KDR
SCHEMBL4913711 0.84 MAP2K1 (0.63) MAP2K1KDM4EPOLBHTTALDH1A1
SCHEMBL4887213 0.81 MAP2K1 (0.46) MAP2K1KDM4EALDH1A1
SCHEMBL14017378 0.81 MAP2K1 (0.60) MAP2K1
SCHEMBL4819671 0.80 KDR (0.57) MAP2K1KDR
SCHEMBL4907892 0.80 MAP2K1 (0.60) MAP2K1KDR
SCHEMBL3692161 0.80 MAP2K1 (0.96) MAP2K1KDM4EHTTALDH1A1
SCHEMBL4912151 0.79 MAP2K1 (0.56) MAP2K1KDR
SCHEMBL4908570 0.79 MET (0.53) MAP2K1KDR
SCHEMBL3687662 0.74 MAP2K1 (0.63) MAP2K1KDM4EPOLBHTTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MAP2K1 127/4885KDM4E 1251/4885POLB 3017/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MAP2K1 261/4885KDM4E 1105/4885POLB 2179/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MAP2K1 127/4885KDM4E 1251/4885POLB 3017/4885

“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.