SCHEMBL12812058

SCHEMBL12812058

O=C(CC1CCCCC1)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.47
▸ ACHE P22303 2/20 0.45
▸ HIF1A Q16665 2/20 0.44
▸ EPAS1 Q99814 2/20 0.44
▸ CASP1 P29466 1/20 0.42
▸ CASP4 P49662 1/20 0.42
▸ CASP5 P51878 1/20 0.42
▸ ACKR3 P25106 1/20 0.42
▸ CXCR4 P61073 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ MKNK2 Q9HBH9 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
SCHEMBL1442335 0.96 ACHE (0.47) NAMPTACHEHIF1AEPAS1CASP1
SCHEMBL10180359 0.92 NCOA1 (0.49) NAMPTHIF1AEPAS1CASP1CASP4
SCHEMBL1443101 0.90 TP53 (0.46) HIF1AEPAS1CASP1CASP4CASP5
SCHEMBL1442880 0.89 KMT2A (0.46) HIF1AEPAS1CASP1CASP4CASP5
SCHEMBL1442489 0.88 NCOA1 (0.46) HIF1AEPAS1CASP1CASP4CASP5
SCHEMBL1443399 0.88 NPC1 (0.46) HIF1AEPAS1CASP1CASP4CASP5
SCHEMBL1441768 0.88 NPC1 (0.46) HIF1AEPAS1CASP1CASP4CASP5
SCHEMBL1443280 0.88 DRD2 (0.51) HIF1AEPAS1CASP1CASP4CASP5
SCHEMBL10179266 0.87 OPRD1 (0.48) CASP1CASP4CASP5CXCR4NPC1
SCHEMBL1442193 0.87 KMT2A (0.47) CASP1CASP4CASP5CXCR4NPC1

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-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
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
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 NAMPT 1013/4885ACHE 2573/4885HIF1A 2989/4885

“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.

Send feedback