SCHEMBL10180734

SCHEMBL10180734

Cc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN(C)C)C3=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.62
ACVRL1 P37023 7/20 0.62
RET P07949 4/20 0.62
ROS1 P08922 4/20 0.62
MET P08581 2/20 0.62
NTRK3 Q16288 2/20 0.46
NTRK2 Q16620 2/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
FTO Q9C0B1 2/20 0.38
CYP2D6 P10635 1/20 0.38
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
TERT O14746 2/20 0.37
DRD2 P14416 2/20 0.35

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
SCHEMBL439680 0.89 NTRK1 (0.61) NTRK1ACVRL1RETROS1MET
Hydrochloric Acid SCHEMBL3469036 0.88 NTRK1 (0.60) NTRK1ACVRL1RETROS1MET
SCHEMBL10283981 0.84 NTRK1 (0.46) NTRK1ACVRL1RETROS1MET
SCHEMBL773256 0.83 NTRK1 (0.55) NTRK1ACVRL1RETROS1MET
SCHEMBL773254 0.82 NTRK1 (0.45) NTRK1ACVRL1RETROS1MET
SCHEMBL451477 0.80 NTRK1 (0.58) NTRK1ACVRL1RETROS1MET
SCHEMBL439960 0.79 NTRK1 (0.88) NTRK1ACVRL1RETROS1MET
SCHEMBL452357 0.79 NTRK1 (0.88) NTRK1ACVRL1RETROS1MET
SCHEMBL469140 0.78 NPC1 (0.51) NTRK1ACVRL1RETROS1MET
SCHEMBL12136012 0.78 NTRK1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.