SCHEMBL14734014

SCHEMBL14734014

C[C@H](CN(C)C)N1C(=O)c2cc3nc(-c4c(N[C@@H](C)Cc5sccc5Cl)cc[nH]c4=O)[nH]c3cc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.56
ACVRL1 P37023 12/20 0.56
RET P07949 5/20 0.55
ROS1 P08922 5/20 0.55
MET P08581 2/20 0.55
NTRK3 Q16288 2/20 0.49
NTRK2 Q16620 2/20 0.49
IGF1R P08069 7/20 0.33
CYP1A2 P05177 4/20 0.32
CYP3A4 P08684 4/20 0.32
CYP2C9 P11712 4/20 0.32
CYP2C19 P33261 4/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL13692431 1.00 NTRK1 (0.56) NTRK1ACVRL1RETROS1MET
SCHEMBL13692434 0.88 NTRK1 (0.71) NTRK1ACVRL1RETROS1MET
SCHEMBL13692428 0.88 NTRK1 (0.53) NTRK1ACVRL1RETROS1MET
SCHEMBL13692421 0.88 NTRK1 (0.53) NTRK1ACVRL1RETROS1MET
SCHEMBL14734021 0.87 NTRK1 (0.57) NTRK1ACVRL1RETROS1MET
SCHEMBL13692423 0.87 NTRK1 (0.57) NTRK1ACVRL1RETROS1MET
SCHEMBL13692398 0.83 NTRK1 (0.56) NTRK1ACVRL1RETROS1MET
SCHEMBL13692438 0.83 NTRK1 (0.69) NTRK1ACVRL1RETROS1MET
SCHEMBL794045 0.82 NTRK1 (0.48) NTRK1ACVRL1RETROS1MET
SCHEMBL768457 0.82 NTRK1 (0.48) NTRK1ACVRL1RETROS1MET

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.