Sugi Predict

Sugi Predict / Compounds / SCHEMBL453373

SCHEMBL453373

SCHEMBL453373

CC(C)N1C(=O)c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 9/20 0.44
▸ ACVRL1 P37023 9/20 0.44
▸ RET P07949 4/20 0.44
▸ ROS1 P08922 4/20 0.44
▸ MET P08581 2/20 0.44
▸ RHEB Q15382 3/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ NTRK3 Q16288 2/20 0.40
▸ NTRK2 Q16620 2/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MYC P01106 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ NUAK1 O60285 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ JAK1 P23458 1/20 0.34

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
SCHEMBL438772 0.89 NTRK1 (0.45) NTRK1ACVRL1RETROS1MET
SCHEMBL12136084 0.88 NTRK1 (0.44) NTRK1ACVRL1RETROS1MET
SCHEMBL794045 0.87 NTRK1 (0.48) NTRK1ACVRL1RETROS1MET
SCHEMBL768457 0.87 NTRK1 (0.48) NTRK1ACVRL1RETROS1MET
SCHEMBL768013 0.86 NTRK1 (0.42) NTRK1ACVRL1RETROS1MET
SCHEMBL794064 0.83 NTRK1 (0.49) NTRK1ACVRL1RETROS1MET
SCHEMBL768308 0.83 NTRK1 (0.49) NTRK1ACVRL1RETROS1MET
SCHEMBL441639 0.81 RHEB (0.45) NTRK1ACVRL1RETROS1MET
SCHEMBL450185 0.81 RHEB (0.37) NTRK1ACVRL1RETROS1MET
SCHEMBL439680 0.80 NTRK1 (0.61) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 — — US disclosed
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 — — US disclosed
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 — — US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 — — US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 — — US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 — — US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 — — US disclosed
WO-2012037155-A2 TYROSINE KINASE INHIBITORS GTX, INC. (US) 2012-03-22 — — WO disclosed
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 (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-20150038536-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 NTRK1 65/4885ACVRL1 592/4885RET 11/4885
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.