SCHEMBL12136127

SCHEMBL12136127

O=C1c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C(=O)N1CC1CNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.41
ACVRL1 P37023 9/20 0.41
RET P07949 4/20 0.41
ROS1 P08922 4/20 0.41
MET P08581 2/20 0.41
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
RHEB Q15382 2/20 0.37
NTRK3 Q16288 2/20 0.37
NTRK2 Q16620 2/20 0.37
JAK1 P23458 5/20 0.35
NUAK1 O60285 1/20 0.35
JAK2 O60674 1/20 0.35
PDGFRA P16234 1/20 0.35
TYK2 P29597 1/20 0.35
FLT3 P36888 1/20 0.35
JAK3 P52333 1/20 0.35
PRKAA1 Q13131 1/20 0.35
BRSK1 Q8TDC3 1/20 0.35
SIK2 Q9H0K1 1/20 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
SCHEMBL768012 0.89 NTRK1 (0.45) NTRK1ACVRL1RETROS1MET
SCHEMBL438772 0.81 NTRK1 (0.45) NTRK1ACVRL1RETROS1MET
SCHEMBL768013 0.81 NTRK1 (0.42) NTRK1ACVRL1RETROS1MET
SCHEMBL773873 0.80 NTRK1 (0.44) NTRK1ACVRL1RETROS1MET
SCHEMBL13692336 0.80 NTRK1 (0.43) NTRK1ACVRL1RETROS1MET
SCHEMBL773933 0.80 NTRK1 (0.43) NTRK1ACVRL1RETROS1MET
SCHEMBL773578 0.80 NTRK1 (0.43) NTRK1ACVRL1RETROS1MET
SCHEMBL439680 0.79 NTRK1 (0.61) NTRK1ACVRL1RETROS1MET
SCHEMBL793656 0.79 NTRK1 (0.49) NTRK1ACVRL1RETROS1MET
SCHEMBL774038 0.79 NTRK1 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 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-20140228350-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
US-20080171769-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.