SCHEMBL438348

SCHEMBL438348

COC(=O)c1nc(-c2cncc(C)c2)cnc1C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
HCRTR2 O43614 7/20 0.40
HCRTR1 O43613 6/20 0.40
ACVR2A P27037 1/20 0.38
TGFBR2 P37173 1/20 0.38
OPRK1 P41145 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
TYRO3 Q06418 1/20 0.34
ATR Q13535 1/20 0.34
PDE10A Q9Y233 1/20 0.34
APLNR P35414 1/20 0.33
STK17B O94768 2/20 0.33
CYP11B2 P19099 2/20 0.33
STK17A Q9UEE5 1/20 0.33
CYP11B1 P15538 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL7877414 0.87 ACVR2A (0.38) ATMHCRTR2HCRTR1ACVR2ATGFBR2
SCHEMBL2276825 0.81 ATM (0.44) ATMHCRTR2HCRTR1OPRK1CYP11B2
SCHEMBL10133638 0.79 CYP11B2 (0.35) ATMACVR2ATGFBR2HDAC8ATR
SCHEMBL439583 0.77 HCRTR2 (0.70) HCRTR2HCRTR1CYP3A4
SCHEMBL451554 0.75 HCRTR1 (0.46) ATMHCRTR2HCRTR1ATRPDE10A
SCHEMBL438304 0.74 HCRTR2 (0.61) ATMHCRTR2HCRTR1ATRCYP3A4
SCHEMBL440917 0.74 HCRTR2 (0.44) ATMHCRTR2HCRTR1ATRCYP11B2
SCHEMBL441242 0.73 LRRK2 (0.47) ATMHCRTR2HCRTR1OPRK1
SCHEMBL2278188 0.71 CYP11B2 (0.40) HCRTR2HCRTR1PDE10AAPLNRCYP11B2
SCHEMBL19406805 0.71 IRAK4 (0.51) ATMHCRTR2HCRTR1CYP11B2CYP11B1

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-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
EP-2438041-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-04-11 EP disclosed
US-20120065205-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2012-03-15 US disclosed
US-20120065205-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2012-03-15 US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 US disclosed
WO-2010141275-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-12-09 WO 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 (3 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 ATM 225/4885HCRTR2 4603/4885HCRTR1 4706/4885
US-20120065205-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R ATM 4830/4885HCRTR2 1/4885HCRTR1 2/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 ATM 225/4885HCRTR2 4603/4885HCRTR1 4706/4885

“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.