Sugi Predict

Sugi Predict / Compounds / SCHEMBL12136012

SCHEMBL12136012

SCHEMBL12136012

CN(CCN1C(=O)c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C1=O)CCS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 9/20 0.50
▸ ACVRL1 P37023 9/20 0.50
▸ RET P07949 4/20 0.50
▸ ROS1 P08922 4/20 0.50
▸ MET P08581 2/20 0.50
▸ NTRK3 Q16288 2/20 0.39
▸ NTRK2 Q16620 2/20 0.39
▸ RHEB Q15382 2/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ PDGFRB P09619 2/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ SRPK2 P78362 2/20 0.31
▸ SRPK1 Q96SB4 2/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL12136025 0.89 NTRK1 (0.56) NTRK1ACVRL1RETROS1MET
SCHEMBL439680 0.88 NTRK1 (0.61) NTRK1ACVRL1RETROS1MET
Hydrochloric Acid SCHEMBL3469036 0.87 NTRK1 (0.60) NTRK1ACVRL1RETROS1MET
SCHEMBL12138203 0.86 NTRK1 (0.42) NTRK1ACVRL1RETROS1MET
SCHEMBL773256 0.84 NTRK1 (0.55) NTRK1ACVRL1RETROS1MET
SCHEMBL438772 0.81 NTRK1 (0.45) NTRK1ACVRL1RETROS1MET
SCHEMBL12136011 0.80 NTRK1 (0.38) NTRK1ACVRL1RETROS1MET
SCHEMBL13692516 0.79 NTRK1 (0.60) NTRK1ACVRL1RETROS1MET
SCHEMBL768308 0.79 NTRK1 (0.49) NTRK1ACVRL1RETROS1MET
SCHEMBL794064 0.79 NTRK1 (0.49) 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 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.