SCHEMBL4793501

SCHEMBL4793501

O=C(NCc1cccc(F)c1)Nc1ccc(-c2ccnc3[nH]ccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CIT O14578 12/20 0.58
ROCK2 O75116 2/20 0.57
BRAF P15056 1/20 0.53
CYP3A4 P08684 2/20 0.52
NAMPT P43490 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A5 P20815 1/20 0.49
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48

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
SCHEMBL4791702 0.88 CYP3A4 (0.67) CITCYP3A4
SCHEMBL4794287 0.88 CIT (0.66) CITROCK2BRAFAURKAAURKB
SCHEMBL4793420 0.86 NEK1 (0.63) CITROCK2
SCHEMBL4792021 0.86 CIT (0.58) CITROCK2
SCHEMBL4794553 0.86 ROCK2 (0.67) CITROCK2CYP3A4CYP3A5AURKA
SCHEMBL5521274 0.82 CIT (0.54) CITROCK2AURKAAURKB
SCHEMBL14462439 0.82 CIT (0.52) CITROCK2AURKB
SCHEMBL4794299 0.81 IKBKB (0.52) CITROCK2AURKB
SCHEMBL4791969 0.81 CIT (0.63) CITROCK2AURKAAURKB
SCHEMBL30009371 0.81 CIT (0.63) CITROCK2AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 US claimed
EP-1979353-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 US disclosed
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 US disclosed
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 US disclosed
WO-2007084667-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI PHARMACEUTICAL, INC. (US) 2007-07-26 WO disclosed
WO-2007084667-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI PHARMACEUTICAL, INC. (US) 2007-07-26 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 (1 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-20070208053-A1 Fused heterobicyclic kinase inhibitors MAP2K5, MAP2K7, MAP2K2 CIT 1156/4885ROCK2 637/4885BRAF 161/4885

“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.