SCHEMBL396349

SCHEMBL396349

CCN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)C5=Cc4cc(C)n[nH]4)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 7/20 0.57
▸ NTRK3 Q16288 2/20 0.52
▸ NTRK2 Q16620 5/20 0.51
▸ AURKA O14965 1/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ SRC P12931 1/20 0.51
▸ DDR1 Q08345 2/20 0.49
▸ HTT P42858 2/20 0.48
▸ CLK1 P49759 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
SCHEMBL396348 1.00 NTRK1 (0.57) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL397199 0.90 NTRK1 (0.71) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL397198 0.90 NTRK1 (0.71) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL396449 0.90 NTRK1 (0.58) NTRK1NTRK3NTRK2
SCHEMBL396448 0.90 NTRK1 (0.58) NTRK1NTRK3NTRK2
SCHEMBL397701 0.89 NTRK1 (0.54) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL397702 0.89 NTRK1 (0.54) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL398833 0.88 NTRK1 (0.54) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL398832 0.88 NTRK1 (0.54) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL393785 0.85 NTRK1 (0.64) NTRK1NTRK3NTRK2AURKADDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 — — US claimed
CN-101056632-B Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2011-12-07 — — CN claimed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 — — US claimed
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 — — US disclosed
CN-101056632-B Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2011-12-07 — — CN disclosed
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 — — EP disclosed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 — — US disclosed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 — — EP disclosed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 — — WO disclosed
CN-1151187-A Subtilisin 309 variants having decreased absorption and increased hydrolysis PROCTER & GAMBLE (US) 1997-06-04 — — CN 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-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, FRK, PTK2B NTRK1 226/4885NTRK3 170/4885NTRK2 235/4885

“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.

Send feedback