SCHEMBL1442104

SCHEMBL1442104

O=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ WNT3A P56704 2/20 0.56
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ HTT P42858 1/20 0.52
▸ PIK3CD O00329 2/20 0.50
▸ PIK3CB P42338 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ PIK3CA P42336 2/20 0.50
▸ AKT1 P31749 1/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SLC2A1 P11166 1/20 0.46
▸ MEN1 O00255 2/20 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
SCHEMBL1442909 0.94 EPHX2 (0.54) SMN1; SMN2WNT3ANPC1RAB9AHTT
SCHEMBL1443467 0.91 KMT2A (0.54) SMN1; SMN2WNT3ANPC1RAB9AHTT
SCHEMBL1443409 0.91 MAPT (0.56) SMN1; SMN2WNT3ANPC1RAB9AALDH1A1
SCHEMBL1442689 0.90 SMN1; SMN2 (0.56) SMN1; SMN2WNT3ANPC1RAB9AALDH1A1
SCHEMBL12812498 0.90 WNT3A (0.48) SMN1; SMN2WNT3ANPC1RAB9AALDH1A1
SCHEMBL27865680 0.89 WNT3A (0.49) SMN1; SMN2WNT3ANPC1RAB9AALDH1A1
SCHEMBL12812502 0.88 MCHR1 (0.50) SMN1; SMN2WNT3ANPC1RAB9AALDH1A1
SCHEMBL1442495 0.88 HTR1A (0.52) SMN1; SMN2WNT3ANPC1RAB9AHTT
SCHEMBL1442857 0.88 AKT1 (0.51) SMN1; SMN2WNT3ARAB9AAKT1MAPT
SCHEMBL1442520 0.88 WNT3A (0.48) SMN1; SMN2WNT3ANPC1RAB9AALDH1A1

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
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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP disclosed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO 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 SMN1; SMN2 2189/4885WNT3A 3920/4885NPC1 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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