SCHEMBL10179747

SCHEMBL10179747

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.52
▸ MAPK13 O15264 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SLC2A1 P11166 3/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ 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
SCHEMBL1442855 0.95 MAPT (0.49) MAPTNPC1RAB9AALDH1A1GAA
SCHEMBL1441766 0.93 NPC1 (0.48) MAPTNPC1RAB9AALDH1A1SLC2A1
SCHEMBL12812459 0.93 MAPT (0.46) MAPTSLC2A1SMN1; SMN2
SCHEMBL1442905 0.93 HDAC3 (0.48) MAPTSLC2A1
SCHEMBL10179001 0.93 RAF1 (0.45) MAPTMAPK13NPC1RAB9AALDH1A1
SCHEMBL10180955 0.93 MAPT (0.50) MAPTSLC2A1SMN1; SMN2
SCHEMBL10179069 0.91 MAPT (0.45) MAPTSLC2A1KMT2A
SCHEMBL10181232 0.90 MAPT (0.44) MAPTMAPK13NPC1RAB9AGAA
SCHEMBL13276381 0.90 MAPT (0.42) MAPTMAPK13NPC1RAB9ASLC2A1
SCHEMBL12812047 0.89 MAPT (0.44) MAPTMAPK13NPC1RAB9AALDH1A1

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
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
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 MAPT 1296/4885MAPK13 343/4885NPC1 4167/4885

“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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