SCHEMBL453972

SCHEMBL453972

COc1nccc(OC(C)Cc2ccccc2)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 5/20 0.46
ACVRL1 P37023 5/20 0.46
RET P07949 3/20 0.46
ROS1 P08922 3/20 0.46
MET P08581 2/20 0.46
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
HEXA P06865 1/20 0.32
HEXB P07686 1/20 0.32
MAOB P27338 3/20 0.32
RAD52 P43351 1/20 0.32
FTO Q9C0B1 1/20 0.32
PDE10A Q9Y233 2/20 0.31
DRD2 P14416 1/20 0.31
HTR6 P50406 1/20 0.31
BRD4 O60885 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL451477 0.85 NTRK1 (0.58) NTRK1ACVRL1RETROS1MET
SCHEMBL14733128 0.81 NTRK1 (0.46) NTRK1ACVRL1RETROS1MET
SCHEMBL12136011 0.71 NTRK1 (0.38) NTRK1ACVRL1RETROS1MET
SCHEMBL774043 0.70 NTRK1 (0.36) NTRK1ACVRL1RETROS1MET
SCHEMBL469136 0.70 NTRK1 (0.36) NTRK1ACVRL1RETROS1MET
SCHEMBL441643 0.68 RHEB (0.40)
SCHEMBL439680 0.68 NTRK1 (0.61) NTRK1ACVRL1RETROS1MET
SCHEMBL441181 0.68 NTRK1 (0.35) NTRK1ACVRL1RETROS1MET
Hydrochloric Acid SCHEMBL3469036 0.68 NTRK1 (0.60) NTRK1ACVRL1RETROS1MET
SCHEMBL12136086 0.68 NTRK1 (0.33) 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 8 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-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-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-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
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.