Sugi Predict

Sugi Predict / Compounds / SCHEMBL441275

SCHEMBL441275

SCHEMBL441275

COc1nccc(Cl)c1-c1nc2cc3c(cc2[nH]1)C(=O)NC3=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDR P35968 2/20 0.37
▸ AURKA O14965 1/20 0.37
▸ AMY1A P0DUB6 6/20 0.37
▸ CBFB Q13951 2/20 0.36
▸ DGAT1 O75907 2/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PRKAB1 Q9Y478 1/20 0.35
▸ PLG P00747 1/20 0.34
▸ PLAU P00749 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
SCHEMBL441643 0.88 RHEB (0.40) RHEBMEN1NPC1RAB9AKMT2A
SCHEMBL463452 0.85 KDR (0.45) RHEBMEN1NPC1RAB9AKMT2A
SCHEMBL438749 0.84 RHEB (0.37) RHEBMEN1NPC1RAB9AKMT2A
SCHEMBL450185 0.84 RHEB (0.37) RHEBMEN1NPC1RAB9AKMT2A
SCHEMBL10182802 0.82 MEN1 (0.42) RHEBMEN1NPC1RAB9AKMT2A
SCHEMBL774043 0.81 NTRK1 (0.36) RHEBMEN1NPC1RAB9AKMT2A
SCHEMBL14733128 0.80 NTRK1 (0.46) RHEBMEN1NPC1RAB9AKMT2A
SCHEMBL441593 0.79 NTRK1 (0.48) RHEBMEN1NPC1RAB9AKMT2A
SCHEMBL439871 0.79 NTRK1 (0.39) RHEBMEN1NPC1RAB9AKMT2A
SCHEMBL441580 0.79 PRKAG1 (0.36) RHEBMEN1NPC1RAB9AKMT2A

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 12 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
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 RHEB 1830/4885MEN1 3978/4885NPC1 2413/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 RHEB 1830/4885MEN1 3978/4885NPC1 2413/4885

“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.