SCHEMBL12136129

SCHEMBL12136129

COc1nccc(I)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CC1CN(C)C1)C3=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.34
NTRK1 P04629 6/20 0.34
ACVRL1 P37023 6/20 0.34
RET P07949 2/20 0.34
ROS1 P08922 2/20 0.34
MET P08581 1/20 0.34
HDAC3 O15379 6/20 0.33
HDAC1 Q13547 6/20 0.33
KDR P35968 2/20 0.33
AURKA O14965 1/20 0.33
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
CBFB Q13951 2/20 0.31
CYP2C9 P11712 1/20 0.31
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 1/20 0.31
PDGFRB P09619 1/20 0.30
FGFR1 P11362 1/20 0.30

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
SCHEMBL17612315 0.86 CHEK2 (0.40)
SCHEMBL768728 0.81 HTR4 (0.44) CARM1NTRK1ACVRL1RETROS1
SCHEMBL773810 0.81 NTRK1 (0.47) CARM1NTRK1ACVRL1RETROS1
SCHEMBL12135396 0.79 ALDH1A1 (0.39) CARM1NTRK1ACVRL1KDRAURKA
SCHEMBL768012 0.77 NTRK1 (0.45) NTRK1ACVRL1RETROS1MET
SCHEMBL12136011 0.77 NTRK1 (0.38) NTRK1ACVRL1RETROS1MET
SCHEMBL773366 0.77 CARM1 (0.36) CARM1KDRAURKACBFB
SCHEMBL12135970 0.76 NTRK1 (0.38) CARM1NTRK1ACVRL1KDRAURKA
SCHEMBL12136149 0.76 NTRK1 (0.46) CARM1NTRK1ACVRL1RETROS1
SCHEMBL12136086 0.75 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP CARM1 988/4885NTRK1 718/4885ACVRL1 3502/4885

“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.