SCHEMBL438525

SCHEMBL438525

C[C@@H](Cc1ccccc1)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CNC3=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.51
ACVRL1 P37023 10/20 0.51
RET P07949 4/20 0.51
ROS1 P08922 4/20 0.51
NTRK3 Q16288 2/20 0.51
NTRK2 Q16620 2/20 0.51
MET P08581 2/20 0.50
IGF1R P08069 5/20 0.46
CYP3A4 P08684 5/20 0.46
CYP1A2 P05177 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
JAK1 P23458 5/20 0.44
CYP2D6 P10635 1/20 0.43
NUAK1 O60285 1/20 0.42
JAK2 O60674 1/20 0.42
PDGFRA P16234 1/20 0.42
TYK2 P29597 1/20 0.42
FLT3 P36888 1/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL439816 0.87 NTRK1 (0.54) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL439732 0.85 NTRK1 (0.69) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL16437782 0.85 NTRK1 (0.69) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL3459244 0.84 NTRK1 (0.60) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL441092 0.84 NTRK1 (0.60) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL469163 0.81 NTRK1 (0.60) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL469150 0.81 NTRK1 (0.60) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL16440373 0.81 NTRK1 (0.60) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL441645 0.76 RHEB (0.43) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL17424939 0.76 NTRK1 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 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-20150038536-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 NTRK1 65/4885ACVRL1 592/4885RET 11/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 NTRK1 65/4885ACVRL1 592/4885RET 11/4885

“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.