SCHEMBL1443326

SCHEMBL1443326

O=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CCN(CCOc5ccccc5)CC4)nc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.50
▸ KCNA5 P22460 4/20 0.49
▸ WNT3A P56704 2/20 0.47
▸ HTR1A P08908 4/20 0.46
▸ DRD2 P14416 3/20 0.46
▸ MCHR1 Q99705 4/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MCHR2 Q969V1 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1442049 0.96 EPHX2 (0.56) EPHX2KCNA5WNT3AHTR1ADRD2
SCHEMBL1442383 0.92 WNT3A (0.49) EPHX2WNT3AHTR1ADRD2MCHR1
SCHEMBL1442581 0.90 HTR1A (0.59) WNT3AHTR1ADRD2MEN1KMT2A
SCHEMBL12812502 0.90 MCHR1 (0.50) WNT3AHTR1ADRD2MCHR1MEN1
SCHEMBL12812492 0.89 EPHX2 (0.49) EPHX2WNT3AHTR1ADRD2MEN1
SCHEMBL1442518 0.88 WNT3A (0.48) EPHX2WNT3AHTR1ADRD2MCHR1
SCHEMBL12812495 0.88 HTR1A (0.52) EPHX2WNT3AHTR1ADRD2MEN1
SCHEMBL1442909 0.88 EPHX2 (0.54) EPHX2WNT3AHTR1ADRD2MEN1
SCHEMBL10180949 0.88 NPC1 (0.57) WNT3AHTR1ADRD2MCHR1MEN1
SCHEMBL12811812 0.88 MEN1 (0.60) WNT3AHTR1ADRD2MCHR1MEN1

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-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 EPHX2 3175/4885KCNA5 2021/4885WNT3A 3920/4885

“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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