SCHEMBL1442702

SCHEMBL1442702

CN(C)C(=O)c1ccccc1-c1ccc2ncc(N3CCCCC3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.46
▸ HCRTR1 O43613 8/20 0.45
▸ HCRTR2 O43614 8/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALOX5AP P20292 1/20 0.43
▸ HCAR2 Q8TDS4 3/20 0.43
▸ HPGD P15428 4/20 0.42
▸ PTPN11 Q06124 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALOX12 P18054 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
SCHEMBL1442982 0.90 ATR (0.49) CNR2HCRTR1HCRTR2MEN1KMT2A
SCHEMBL12811798 0.85 ALOX5AP (0.46) HCRTR1HCRTR2SMN1; SMN2ALOX5APHCAR2
SCHEMBL12812446 0.85 HPGD (0.49) HCRTR1HCRTR2MEN1KMT2AALOX5AP
SCHEMBL1442257 0.83 CLK4 (0.48) HPGDPIK3CAALDH1A1
SCHEMBL13276227 0.82 PDE10A (0.44) CNR2SMN1; SMN2HPGDPIK3CA
SCHEMBL1442436 0.80 KDM4E (0.48) CNR2MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL1442797 0.80 HPGD (0.50) CNR2MEN1KMT2ASMN1; SMN2HCAR2
SCHEMBL1441972 0.79 HRH3 (0.47) MEN1KMT2ASMN1; SMN2HCAR2HPGD
SCHEMBL1442603 0.79 ALOX5AP (0.47) MEN1KMT2ASMN1; SMN2ALOX5APPTPN11
SCHEMBL12812442 0.78 PTPN11 (0.45) MEN1KMT2ASMN1; SMN2ALOX5APHPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US claimed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US claimed
CN-102596932-A Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER SCHERING PHARMA AG 2012-07-18 — — CN claimed
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP claimed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO claimed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — 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 (1 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-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS ABL1, TYK2, JAK2 CNR2 3221/4885HCRTR1 3996/4885HCRTR2 4046/4885

“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.

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