SCHEMBL1443214

SCHEMBL1443214

COc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ MAPT P10636 3/20 0.48
▸ KIT P10721 2/20 0.48
▸ CSF1R P07333 2/20 0.48
▸ GAK O14976 1/20 0.48
▸ PDE10A Q9Y233 1/20 0.48
▸ ATR Q13535 1/20 0.47
▸ ATRIP Q8WXE1 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL1442890 0.92 GAK (0.57) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL1441904 0.90 MAPT (0.49) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL13276777 0.89 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL27882073 0.88 AR (0.52) ALDH1A1CYP1A2CYP2C19KITCSF1R
SCHEMBL27882012 0.88 MEN1 (0.47) ALDH1A1NPC1RAB9AKDM4ECYP1A2
SCHEMBL1442713 0.87 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL1442692 0.86 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL10179693 0.86 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL12812388 0.85 PDE10A (0.44) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL12812381 0.84 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AKDM4EHPGD

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
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO 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

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 ALDH1A1 3857/4885NPC1 4167/4885RAB9A 1365/4885

“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.

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