SCHEMBL793592

SCHEMBL793592

Cc1cc[nH]c(=O)c1-c1nc2c(Cl)c3c(cc2[nH]1)C(=O)N(C1CCN(C)CC1)C3=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.55
ACVRL1 P37023 5/20 0.55
RET P07949 2/20 0.44
ROS1 P08922 2/20 0.44
CYP3A4 P08684 12/20 0.44
IGF1R P08069 11/20 0.44
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38

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
SCHEMBL768094 0.93 NTRK1 (0.55) NTRK1ACVRL1RETROS1CYP3A4
SCHEMBL439782 0.86 NTRK1 (0.64) NTRK1ACVRL1RETROS1CYP3A4
Hydrochloric Acid SCHEMBL767126 0.86 NTRK1 (0.63) NTRK1ACVRL1RETROS1CYP3A4
SCHEMBL469135 0.84 NTRK1 (0.60) NTRK1ACVRL1RETROS1CYP3A4
Hydrochloric Acid SCHEMBL768247 0.81 NTRK1 (0.62) NTRK1ACVRL1RETROS1CYP3A4
SCHEMBL14301007 0.81 NTRK1 (0.57) NTRK1ACVRL1RETROS1CYP3A4
SCHEMBL772905 0.80 NTRK1 (0.49) NTRK1ACVRL1RETROS1CYP3A4
SCHEMBL10283941 0.79 NTRK1 (0.52) NTRK1ACVRL1CYP3A4IGF1R
SCHEMBL768139 0.79 NTRK1 (0.52) NTRK1ACVRL1CYP3A4IGF1R
SCHEMBL14719441 0.79 NTRK1 (0.64) NTRK1ACVRL1RETROS1CYP3A4

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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP NTRK1 718/4885ACVRL1 3502/4885RET 16/4885

“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.