SCHEMBL1442807

SCHEMBL1442807

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1)c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HIF1A Q16665 3/20 0.45
▸ EPAS1 Q99814 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ GBA1 P04062 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL10179606 0.89 SMN1; SMN2 (0.59) NPC1RAB9AALDH1A1KDM4ETP53
SCHEMBL1442483 0.89 MAPT (0.58) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL10179384 0.89 HIF1A (0.55) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL13276431 0.88 MAPT (0.48) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL1442794 0.88 RAD52 (0.52) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL10180943 0.88 MAPT (0.53) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL1442480 0.88 MAPT (0.55) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL13465491 0.88 KDM4E (0.53) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL10179627 0.87 FAAH (0.49) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL1443280 0.87 DRD2 (0.51) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

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 9 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-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 NPC1 4167/4885RAB9A 1365/4885ALDH1A1 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.

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