SCHEMBL4052163

SCHEMBL4052163

COc1c(C(=O)O)cn2c1C(Nc1ccc(Br)cc1F)=NCN2CCN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 11/20 0.41
▸ FLT1 P17948 4/20 0.36
▸ KDR P35968 4/20 0.36
▸ FGFR1 P11362 3/20 0.36
▸ FLT4 P35916 3/20 0.36
▸ EGFR P00533 2/20 0.36
▸ FPR3 P25089 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ MAP2K2 P36507 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL4052168 0.67 KDR (0.35) MAP2K1FLT1KDRFGFR1FLT4
SCHEMBL4216555 0.66 KDR (0.42) MAP2K1FLT1KDRFGFR1FLT4
SCHEMBL4050287 0.66 MAPK14 (0.48) MAP2K1FLT1KDRFGFR1FLT4
SCHEMBL391994 0.61 MAP2K1 (0.64) MAP2K1MAP2K2LMNA
SCHEMBL29413525 0.60 MAP2K1 (0.80) MAP2K1MAP2K2
SCHEMBL388542 0.60 MAP2K1 (0.80) MAP2K1MAP2K2
SCHEMBL17520347 0.60 KDR (0.82) MAP2K1FLT1KDRFGFR1FLT4
SCHEMBL1777798 0.59 MAP2K1 (0.74) MAP2K1MAP2K2LMNA
SCHEMBL392306 0.59 MAP2K1 (0.70) MAP2K1MAP2K2
SCHEMBL388569 0.59 MAP2K1 (1.00) MAP2K1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669071-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2009-07-22 — — EP disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
US-7112675-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 — — US disclosed
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 — — US disclosed
EP-1669071-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-14 — — EP disclosed
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 — — EP disclosed
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 — — US disclosed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 — — US disclosed
EP-1183033-A4 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2002-07-17 — — EP disclosed
EP-1183033-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-06 — — EP disclosed
WO-2000071129-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-30 — — 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-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 MAP2K1 602/4885FLT1 4/4885KDR 8/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 MAP2K1 602/4885FLT1 4/4885KDR 8/4885

“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.

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