SCHEMBL438304

SCHEMBL438304

COC(=O)c1nc(-c2cncc(C)c2)cnc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.61
HCRTR1 O43613 8/20 0.61
ATR Q13535 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.41
PRKDC P78527 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL7877771 0.90 HCRTR1 (0.57) HCRTR2HCRTR1ATRCYP3A4NTRK1
SCHEMBL4002550 0.85 ATR (0.54) HCRTR2HCRTR1ATRSMN1; SMN2ALDH1A1
SCHEMBL451554 0.84 HCRTR1 (0.46) HCRTR2HCRTR1ATRCYP3A4ATM
SCHEMBL440917 0.82 HCRTR2 (0.44) HCRTR2HCRTR1ATRATM
SCHEMBL469153 0.78 HCRTR1 (0.47) HCRTR2HCRTR1ATRSMN1; SMN2CYP3A4
SCHEMBL441256 0.77 HCRTR1 (1.00) HCRTR2HCRTR1CYP3A4
SCHEMBL24993550 0.76 NPC1 (0.52) ATRSMN1; SMN2ALDH1A1PRKDC
SCHEMBL19406805 0.75 IRAK4 (0.51) HCRTR2HCRTR1SMN1; SMN2CYP3A4ATM
SCHEMBL438348 0.74 ATM (0.41) HCRTR2HCRTR1ATRCYP3A4ATM
SCHEMBL7880401 0.73 HCRTR1 (0.42) HCRTR2HCRTR1ATRCYP3A4ATM

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 HCRTR2 4603/4885HCRTR1 4706/4885ATR 358/4885
US-20120065205-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R HCRTR2 1/4885HCRTR1 2/4885ATR 3803/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 HCRTR2 4603/4885HCRTR1 4706/4885ATR 358/4885

“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.