SCHEMBL4052168

SCHEMBL4052168

COC1=C2C(Nc3ccc(Br)cc3F)=NC=N[N+]2(CCN2CCCC2)C=C1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.35
▸ MC4R P32245 3/20 0.35
▸ EGFR P00533 6/20 0.35
▸ FLT1 P17948 5/20 0.35
▸ FLT4 P35916 5/20 0.35
▸ FGFR1 P11362 4/20 0.35
▸ MAP2K1 Q02750 5/20 0.35
▸ LMNA P02545 1/20 0.34
▸ FPR3 P25089 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4052163 0.67 MAP2K1 (0.41) KDREGFRFLT1FLT4FGFR1
SCHEMBL4050287 0.60 MAPK14 (0.48) KDREGFRFLT1FLT4FGFR1
SCHEMBL17520347 0.58 KDR (0.82) KDREGFRFLT1FLT4FGFR1
SCHEMBL4654817 0.58 KMT2A (0.60) FPR3FPR2ALDH1A1
SCHEMBL4654790 0.57 FPR3 (0.64) KDREGFRFLT1FLT4FGFR1
SCHEMBL4248849 0.57 MAP2K1 (0.41) MAP2K1LMNAFPR2ALDH1A1L3MBTL1
SCHEMBL693613 0.56 ALDH1A1 (0.54) MAP2K1LMNAALDH1A1
SCHEMBL693420 0.56 MAP2K1 (0.50) MAP2K1LMNAALDH1A1
SCHEMBL14500085 0.56 MAP2K1 (0.40) MAP2K1LMNAALDH1A1L3MBTL1
SCHEMBL7348412 0.55 SMN1; SMN2 (0.48) LMNAALDH1A1

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 KDR 8/4885MC4R 2754/4885EGFR 27/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 KDR 8/4885MC4R 2754/4885EGFR 27/4885

“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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