SCHEMBL394475

SCHEMBL394475

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1cccc2c1NC(=O)/C2=C\c1ccc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.55
NTRK1 P04629 7/20 0.52
NTRK3 Q16288 1/20 0.52
JAK3 P52333 1/20 0.48
TLK2 Q86UE8 1/20 0.48
NTRK2 Q16620 2/20 0.48
ABL1 P00519 7/20 0.48
KIT P10721 6/20 0.48
BCR P11274 4/20 0.48
ABL2 P42684 4/20 0.48
PDGFRA P16234 3/20 0.48
EGFR P00533 3/20 0.48
LCK P06239 3/20 0.48
CSF1R P07333 3/20 0.48
DDR2 Q16832 3/20 0.48
MAPK14 Q16539 3/20 0.48
ERBB2 P04626 2/20 0.48
FYN P06241 2/20 0.48
LYN P07948 2/20 0.48
PDGFRB P09619 2/20 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
SCHEMBL394476 1.00 RET (0.55) RETNTRK1NTRK3JAK3TLK2
SCHEMBL394528 0.91 NTRK1 (0.58) RETNTRK1NTRK3JAK3TLK2
SCHEMBL394527 0.91 NTRK1 (0.58) RETNTRK1NTRK3JAK3TLK2
SCHEMBL398698 0.89 RET (0.66) RETNTRK1NTRK3JAK3TLK2
SCHEMBL397000 0.89 RET (0.66) RETNTRK1NTRK3JAK3TLK2
SCHEMBL395558 0.89 NTRK1 (0.64) RETNTRK1NTRK3JAK3TLK2
SCHEMBL395559 0.89 NTRK1 (0.64) RETNTRK1NTRK3JAK3TLK2
SCHEMBL10091893 0.86 RET (0.60) RETNTRK1NTRK3JAK3TLK2
SCHEMBL394159 0.86 RET (0.60) RETNTRK1NTRK3JAK3TLK2
SCHEMBL396264 0.85 RET (0.58) RETNTRK1NTRK3NTRK2ABL1

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 9 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
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
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
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
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

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 RET 5/4885NTRK1 226/4885NTRK3 170/4885

“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.