SCHEMBL12812470

SCHEMBL12812470

Oc1ccc(-c2ccc3ncc(N4CCCN(CCc5ccccc5)CC4)nc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.50
CASP4 P49662 1/20 0.50
CASP5 P51878 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MELK Q14680 1/20 0.45
HCAR2 Q8TDS4 3/20 0.45
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
HTR7 P34969 1/20 0.44
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SLC6A3 Q01959 1/20 0.40
HTR3A P46098 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 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
SCHEMBL12812480 0.96 NPC1 (0.53) CASP1CASP4CASP5NPC1RAB9A
SCHEMBL10180907 0.92 NPC1 (0.52) CASP1CASP4CASP5NPC1RAB9A
SCHEMBL1442598 0.90 NPC1 (0.51) NPC1RAB9AHCAR2DRD4DRD3
SCHEMBL12812477 0.90 NPC1 (0.63) CASP1CASP4CASP5NPC1RAB9A
SCHEMBL10179187 0.89 CASP1 (0.47) CASP1CASP4CASP5NPC1RAB9A
SCHEMBL12812478 0.86 NPC1 (0.68) CASP1CASP5NPC1RAB9AHCAR2
SCHEMBL1442537 0.85 HTR1A (0.55) CASP1CASP4CASP5NPC1RAB9A
SCHEMBL1442719 0.84 NPC1 (0.49) CASP1CASP4CASP5NPC1RAB9A
SCHEMBL10178892 0.83 SLC2A1 (0.46) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL1442120 0.82 NPC1 (0.46) NPC1RAB9AHCAR2ALDH1A1HTR3A

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 9 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
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
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 US disclosed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 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 (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 CASP1 3368/4885CASP4 4190/4885CASP5 2719/4885

“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.