SCHEMBL10179667

SCHEMBL10179667

Oc1ccc(-c2ccc3ncc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.71
ALDH1A1 P00352 2/20 0.71
POLB P06746 1/20 0.71
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
NFKB1 P19838 1/20 0.51
SLC6A2 P23975 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL10179483 0.89 ALDH1A1 (0.67) KDM4EALDH1A1POLBLMNASMN1; SMN2
SCHEMBL12812429 0.83 NPC1 (0.53) KDM4EALDH1A1POLBLMNANPC1
SCHEMBL12812478 0.83 NPC1 (0.68) KDM4EALDH1A1POLBLMNASMN1; SMN2
SCHEMBL10180987 0.83 ALDH1A1 (0.63) KDM4EALDH1A1POLBLMNASMN1; SMN2
SCHEMBL1443526 0.80 NPC1 (0.50) KDM4EALDH1A1POLBKCNH2NPC1
SCHEMBL12812430 0.80 NPC1 (0.53) KDM4EALDH1A1POLBLMNASMN1; SMN2
SCHEMBL1443527 0.79 NPC1 (0.54) KDM4EALDH1A1POLBDRD2DRD3
SCHEMBL12812477 0.79 NPC1 (0.63) KDM4EALDH1A1POLBSMN1; SMN2DRD2
SCHEMBL10179185 0.79 KDM4E (0.55) KDM4EALDH1A1POLBLMNACYP3A4
SCHEMBL1442232 0.78 NPC1 (0.50) KDM4EALDH1A1POLBHTR1ADRD2

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 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.