SCHEMBL10179655

SCHEMBL10179655

Oc1ccc(-c2ccc3ncc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)nc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
EGFR P00533 1/20 0.47
HCAR2 Q8TDS4 3/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
HTR3A P46098 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
OPRD1 P41143 1/20 0.41

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
SCHEMBL10179252 0.89 ATM (0.48) SMN1; SMN2ALDH1A1HPGDHCAR2NPC1
SCHEMBL10179446 0.87 EGFR (0.52) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL1442297 0.85 MAPT (0.64) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL12811964 0.81 BCHE (0.51) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL1442761 0.81 WNT3A (0.47) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL1443390 0.81 PIK3CA (0.47) SMN1; SMN2ALDH1A1HPGDHCAR2NPC1
SCHEMBL12812478 0.80 NPC1 (0.68) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL27882010 0.80 PIK3CB (0.45) SMN1; SMN2ALDH1A1HPGDHCAR2NPC1
SCHEMBL1442666 0.80 HRH4 (0.59) SMN1; SMN2ALDH1A1HPGDHCAR2HTR3A
SCHEMBL1444121 0.80 PIK3CA (0.48) SMN1; SMN2KDM4EALDH1A1HPGDHCAR2

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 11 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
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 SMN1; SMN2 2189/4885KDM4E 932/4885ALDH1A1 3857/4885

“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.