SCHEMBL2333691

SCHEMBL2333691

O=C(Nc1ccc(Nc2ncnc3[nH]ccc(=O)c23)cc1)Nc1cc(C(F)(F)F)ccc1-n1ccnn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.47
▸ NTRK1 P04629 5/20 0.47
▸ FLT3 P36888 2/20 0.43
▸ RET P07949 2/20 0.41
▸ BRAF P15056 3/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ TNNI3K Q59H18 1/20 0.39
▸ NTRK3 Q16288 2/20 0.39
▸ NTRK2 Q16620 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CSF1R P07333 2/20 0.38
▸ SRC P12931 2/20 0.38
▸ FLT1 P17948 2/20 0.38
▸ FLT4 P35916 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ BLK P51451 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
SCHEMBL2333081 0.87 ALDH1A1 (0.48) KDRNTRK1FLT3RETBRAF
SCHEMBL4259751 0.86 KDR (0.54) KDRNTRK1FLT3BRAFCSF1R
SCHEMBL4259419 0.85 KDR (0.52) KDRNTRK1FLT3BRAFMAPK14
SCHEMBL3761347 0.84 CA12 (0.52) KDRNTRK1FLT3RETBRAF
SCHEMBL3768545 0.81 BRAF (0.51) KDRNTRK1FLT3BRAFMAPK14
SCHEMBL3762938 0.79 RET (0.60) KDRNTRK1FLT3RETBRAF
SCHEMBL2333899 0.78 NTRK1 (0.51) KDRNTRK1FLT3RETNTRK3
SCHEMBL3763767 0.77 NTRK1 (0.51) KDRNTRK1FLT3RETBRAF
SCHEMBL15500073 0.75 KDR (0.48) KDRNTRK1FLT3RETBRAF
SCHEMBL4256126 0.75 ALDH1A1 (0.45) KDRNTRK1FLT3BRAFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003657-B2 Heterocyclic substituted bisarylurea derivatives MERCK PATENT GMBH (DE) 2011-08-23 — — US claimed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 — — US claimed
EP-1799669-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS Merck Patent GmbH (DE) 2007-06-27 — — EP claimed
WO-2006040056-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2006-04-20 — — WO claimed
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 — — US disclosed
WO-2012082746-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-21 — — WO disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
US-8003657-B2 Heterocyclic substituted bisarylurea derivatives MERCK PATENT GMBH (DE) 2011-08-23 — — US disclosed
US-8003657-B2 Heterocyclic substituted bisarylurea derivatives MERCK PATENT GMBH (DE) 2011-08-23 — — US disclosed
US-8003657-B2 Heterocyclic substituted bisarylurea derivatives MERCK PATENT GMBH (DE) 2011-08-23 — — US disclosed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 — — US disclosed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 — — US disclosed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 — — US disclosed
US-20090124633-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GESELLSCHAFT (DE) 2009-05-14 — — 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-20090124633-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES ABL1, NME2, MAP3K1 KDR 993/4885NTRK1 828/4885FLT3 70/4885
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES ABL1, BTK, PRKACA KDR 967/4885NTRK1 3060/4885FLT3 5/4885
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDR 4644/4885NTRK1 3659/4885FLT3 1883/4885

“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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