SCHEMBL14719254

SCHEMBL14719254

CC(Cc1cccs1)Nc1cc[nH]c(=O)c1-c1nc2c(Cl)c3c(cc2[nH]1)C(=O)N(C1CCN(C)CC1)C3

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.65
ACVRL1 P37023 10/20 0.65
RET P07949 5/20 0.65
ROS1 P08922 5/20 0.65
NTRK3 Q16288 2/20 0.56
NTRK2 Q16620 2/20 0.56
IGF1R P08069 10/20 0.42
CYP3A4 P08684 8/20 0.42
MET P08581 2/20 0.39

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
SCHEMBL13692269 1.00 NTRK1 (0.65) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL13692262 0.89 NTRK1 (0.64) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL14719441 0.89 NTRK1 (0.64) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL16986769 0.87 NTRK1 (0.71) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL13692277 0.87 NTRK1 (0.71) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL16376489 0.87 NTRK1 (0.71) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL13692280 0.83 NTRK1 (0.55) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL12135936 0.83 NTRK1 (0.59) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL13692299 0.82 NTRK1 (0.72) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL13692391 0.80 NTRK1 (0.60) NTRK1ACVRL1RETROS1NTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
EP-2262807-B1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORP (US) 2015-08-12 EP disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 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 (2 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-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 NTRK1 331/4885ACVRL1 1949/4885RET 2/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 NTRK1 331/4885ACVRL1 1949/4885RET 2/4885

“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.