SCHEMBL10179185

SCHEMBL10179185

O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
FAAH O00519 4/20 0.49
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
ALK Q9UM73 2/20 0.43
INSR P06213 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
KMT2A Q03164 1/20 0.43
MCHR1 Q99705 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
CACNA1G O43497 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL10180987 0.91 ALDH1A1 (0.63) KDM4EALDH1A1POLBFAAHMAPT
SCHEMBL1443280 0.90 DRD2 (0.51) KDM4EALDH1A1FAAHMAPTHTR1A
SCHEMBL10179675 0.89 HTR1A (0.52) KDM4EALDH1A1POLBMAPTHTR1A
SCHEMBL1442810 0.89 HTR1A (0.51) KDM4EALDH1A1POLBMAPTHTR1A
SCHEMBL12812461 0.88 HTR1A (0.46) KDM4EALDH1A1FAAHMAPTHTR1A
SCHEMBL10179379 0.88 KDM4E (0.51) KDM4EALDH1A1POLBMAPTKMT2A
SCHEMBL12812462 0.87 HTR1A (0.47) MAPTHTR1ADRD2SIGMAR1RORC
SCHEMBL12812472 0.87 RORC (0.49) KDM4EALDH1A1MAPTHTR1ADRD2
SCHEMBL1442424 0.87 DRD2 (0.47) FAAHHTR1ADRD2ALKMCHR1
SCHEMBL12812055 0.87 RORC (0.48) KDM4EALDH1A1MAPTHTR1ADRD2

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
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-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 KDM4E 932/4885ALDH1A1 3857/4885POLB 2893/4885

“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.