Sugi Predict

Sugi Predict / Compounds / SCHEMBL439858

SCHEMBL439858

SCHEMBL439858

O=C1c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C(=O)N1c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 6/20 0.61
▸ ACVRL1 P37023 6/20 0.61
▸ HTT P42858 2/20 0.43
▸ MAPT P10636 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RHEB Q15382 2/20 0.40
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.37
▸ RET P07949 1/20 0.36

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
SCHEMBL438660 0.84 NTRK1 (0.49) NTRK1ACVRL1MAPTHSD17B10MAPK1
SCHEMBL438772 0.84 NTRK1 (0.45) NTRK1ACVRL1RHEBNPC1RAB9A
SCHEMBL441593 0.82 NTRK1 (0.48) NTRK1ACVRL1HTTMAPTHSD17B10
SCHEMBL453373 0.78 NTRK1 (0.44) NTRK1ACVRL1RHEBNPC1RAB9A
SCHEMBL441199 0.77 NTRK1 (0.85) NTRK1ACVRL1RETMETROS1
SCHEMBL441639 0.77 RHEB (0.45) NTRK1ACVRL1RHEBNPC1RAB9A
SCHEMBL439725 0.77 NTRK1 (1.00) NTRK1ACVRL1RETMETROS1
SCHEMBL438638 0.77 NTRK1 (1.00) NTRK1ACVRL1RETMETROS1
SCHEMBL12135400 0.75 NTRK1 (0.50) NTRK1ACVRL1MAPTGAARHEB
SCHEMBL439680 0.74 NTRK1 (0.61) NTRK1ACVRL1RHEBNPC1RAB9A

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-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
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
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 592/4885HTT 3423/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 NTRK1 65/4885ACVRL1 592/4885HTT 3423/4885

“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.