SCHEMBL4216555

SCHEMBL4216555

COc1c(C(=O)N(C)CCN2CCCC2)cn2ncnc(Nc3ccc(Br)cc3F)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 18/20 0.42
▸ FLT1 P17948 10/20 0.42
▸ FLT4 P35916 9/20 0.42
▸ EGFR P00533 14/20 0.42
▸ FGFR1 P11362 9/20 0.42
▸ PDGFRB P09619 2/20 0.38
▸ TEK Q02763 2/20 0.38
▸ RET P07949 2/20 0.38
▸ KIF5B P33176 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ CIT O14578 1/20 0.38
▸ GAK O14976 1/20 0.38
▸ EPHB6 O15197 1/20 0.38
▸ RIPK2 O43353 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ STK10 O94804 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ ABL1 P00519 1/20 0.38

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
SCHEMBL14451986 0.89 KDR (0.39) KDRFLT1FLT4MAPK14CSF1R
SCHEMBL4050287 0.87 MAPK14 (0.48) KDRFLT1FLT4EGFRFGFR1
SCHEMBL4048475 0.79 EGFR (0.56) KDRFLT1FLT4EGFRRET
SCHEMBL4219191 0.78 KDR (0.48) KDRFLT1FLT4EGFRFGFR1
SCHEMBL4049767 0.73 KDR (0.62) KDRMAPK14
SCHEMBL5740699 0.73 EGFR (0.46) KDRFLT1FLT4EGFRRET
SCHEMBL4052170 0.72 EGFR (0.41) KDRFLT1FLT4EGFRFGFR1
SCHEMBL1460896 0.71 EGFR (0.46) KDREGFRERBB2
SCHEMBL5740297 0.68 KDR (0.46) KDREGFRRETKIF5BMAPK14
SCHEMBL4052163 0.66 MAP2K1 (0.41) KDRFLT1FLT4EGFRFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 — — EP claimed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 — — US claimed
EP-1669071-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2009-07-22 — — EP disclosed
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 — — US disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 — — US disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 — — 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
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 — — US disclosed
EP-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 — — EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 — — WO 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 (4 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-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines REN, TACR1, AGTR1 KDR 1545/4885FLT1 2206/4885FLT4 2320/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 KDR 1369/4885FLT1 2072/4885FLT4 2193/4885
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 KDR 8/4885FLT1 4/4885FLT4 11/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 KDR 8/4885FLT1 4/4885FLT4 11/4885

“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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