Sugi Predict

Sugi Predict / Compounds / SCHEMBL441639

SCHEMBL441639

SCHEMBL441639

O=C1NC(=O)c2cc3[nH]c(-c4c(Cl)cc[nH]c4=O)nc3cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 4/20 0.45
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ERAP1 Q9NZ08 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GBA1 P04062 1/20 0.37
▸ GUSB P08236 1/20 0.37
▸ JAK2 O60674 3/20 0.37
▸ TYK2 P29597 3/20 0.37
▸ JAK1 P23458 3/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ PRKAA1 Q13131 2/20 0.37
▸ NUAK1 O60285 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ BRSK1 Q8TDC3 1/20 0.37
▸ SIK2 Q9H0K1 1/20 0.37
▸ NTRK1 P04629 5/20 0.37

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 0.85 NTRK1 (0.45) RHEBNPC1RAB9AATMERAP1
SCHEMBL469140 0.85 NPC1 (0.51) NPC1RAB9AATMERAP1GBA1
SCHEMBL441645 0.84 RHEB (0.43) RHEBNPC1RAB9AATMERAP1
SCHEMBL5009107 0.82 RHEB (0.44) RHEBNPC1RAB9AATMERAP1
SCHEMBL453373 0.81 NTRK1 (0.44) RHEBNPC1RAB9AATMERAP1
SCHEMBL438747 0.81 RHEB (0.41) RHEBNPC1RAB9AATMERAP1
SCHEMBL10182802 0.80 MEN1 (0.42) RHEBNPC1RAB9AMEN1KMT2A
SCHEMBL12135400 0.78 NTRK1 (0.50) RHEBNPC1RAB9AATMERAP1
SCHEMBL787648 0.78 RHEB (0.43) RHEBNPC1RAB9AATMERAP1
SCHEMBL5009086 0.78 RHEB (0.41) RHEBNPC1RAB9AATMERAP1

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 8 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

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 RHEB 1830/4885NPC1 2413/4885RAB9A 3099/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 RHEB 1830/4885NPC1 2413/4885RAB9A 3099/4885

“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.