SCHEMBL14733128

SCHEMBL14733128

COc1nccc(Cl)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN(C)C)C3=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.46
ACVRL1 P37023 4/20 0.46
RET P07949 3/20 0.46
ROS1 P08922 3/20 0.46
MET P08581 2/20 0.46
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
ACHE P22303 1/20 0.35
CCR2 P41597 1/20 0.35
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
FTO Q9C0B1 2/20 0.34
RAD52 P43351 1/20 0.34
RHEB Q15382 3/20 0.34
TERT O14746 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PRKAG1 P54619 1/20 0.34

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
SCHEMBL774043 0.89 NTRK1 (0.36) NTRK1ACVRL1RETROS1MET
SCHEMBL441643 0.87 RHEB (0.40) RHEBMEN1NPC1RAB9AKMT2A
SCHEMBL441181 0.86 NTRK1 (0.35) NTRK1ACVRL1RETROS1MET
SCHEMBL439680 0.83 NTRK1 (0.61) NTRK1ACVRL1RETROS1MET
SCHEMBL773567 0.83 CARM1 (0.36) NTRK1ACVRL1RETROS1MET
Hydrochloric Acid SCHEMBL3469036 0.82 NTRK1 (0.60) NTRK1ACVRL1RETROS1MET
SCHEMBL1350206 0.82 CARM1 (0.36) NTRK1ACVRL1RETROS1MET
SCHEMBL441580 0.82 PRKAG1 (0.36) NTRK1ACVRL1RETROS1MET
SCHEMBL450332 0.82 PRKAG1 (0.36) NTRK1ACVRL1RETROS1MET
SCHEMBL450185 0.82 RHEB (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.