SCHEMBL398598

SCHEMBL398598

CCN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)C5=Cc4[nH]cnc4C)c3)cc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 11/20 0.46
▸ NTRK3 Q16288 3/20 0.46
▸ RET P07949 1/20 0.44
▸ NTRK2 Q16620 6/20 0.44
▸ SRC P12931 2/20 0.43
▸ INSR P06213 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ LYN P07948 1/20 0.43
▸ HCK P08631 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ AURKB Q96GD4 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ TLK2 Q86UE8 1/20 0.41
▸ ABL1 P00519 1/20 0.40

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
SCHEMBL398597 1.00 NTRK1 (0.46) NTRK1NTRK3RETNTRK2SRC
SCHEMBL398832 0.90 NTRK1 (0.54) NTRK1NTRK3NTRK2SRCLYN
SCHEMBL398833 0.90 NTRK1 (0.54) NTRK1NTRK3NTRK2SRCLYN
SCHEMBL395278 0.87 CSF1R (0.57) NTRK1NTRK3CSF1RTLK2
SCHEMBL395279 0.87 CSF1R (0.57) NTRK1NTRK3CSF1RTLK2
SCHEMBL398203 0.86 NTRK1 (0.59) NTRK1NTRK3RETNTRK2LCK
SCHEMBL398202 0.86 NTRK1 (0.59) NTRK1NTRK3RETNTRK2LCK
SCHEMBL397639 0.81 NTRK1 (0.59) NTRK1NTRK3NTRK2SRCKDR
SCHEMBL397638 0.81 NTRK1 (0.59) NTRK1NTRK3NTRK2SRCKDR
SCHEMBL3609038 0.78 NTRK3 (0.53) NTRK1NTRK3KDRAURKAAURKB

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-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
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 — — EP claimed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 — — US claimed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 — — EP claimed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 — — WO 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
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 — — 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 (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 170/4885RET 5/4885

“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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