SCHEMBL10179446

SCHEMBL10179446

Cc1cc(-c2ccc3ncc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)nc3c2)cc(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.52
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DPP4 P27487 1/20 0.42
MAPT P10636 2/20 0.42
HTR3A P46098 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TTK P33981 1/20 0.41
ALOX5 P09917 6/20 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
SCHEMBL1442514 0.91 TTK (0.42) EGFRALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL10179655 0.87 SMN1; SMN2 (0.50) EGFRALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL10179663 0.86 MAPT (0.59) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL12811977 0.83 HTR3A (0.45) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL1442653 0.83 MAPT (0.47) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL1442650 0.82 HRH4 (0.56) SMN1; SMN2KDM4EHTR3AHRH4NPC1
SCHEMBL27865647 0.82 PIK3CA (0.43) ALDH1A1SMN1; SMN2HPGDMAPTHTR3A
SCHEMBL10178985 0.82 JAK1 (0.44) ALDH1A1SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL1442694 0.82 HRH4 (0.43) ALDH1A1SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL10179172 0.82 NPC1 (0.63) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA

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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 EP 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 EGFR 526/4885ALDH1A1 3857/4885SMN1; SMN2 2189/4885

“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.