SCHEMBL12812483

SCHEMBL12812483

O=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CCC(c5ccncc5)C4)nc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.48
▸ WNT3A P56704 8/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ BTK Q06187 1/20 0.40

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
SCHEMBL1443221 0.92 MCHR1 (0.45) MCHR1WNT3ANPC1RAB9AMCL1
SCHEMBL1442532 0.90 WNT3A (0.49) MCHR1WNT3ANPC1RAB9AMCL1
SCHEMBL1442323 0.87 MCHR1 (0.47) MCHR1WNT3ANPC1RAB9AMCL1
SCHEMBL1442230 0.85 MCHR1 (0.45) MCHR1WNT3ANPC1RAB9AMCL1
SCHEMBL1442495 0.85 HTR1A (0.52) WNT3ANPC1RAB9AMCL1MAPT
SCHEMBL12812498 0.85 WNT3A (0.48) MCHR1WNT3ANPC1RAB9AMCL1
SCHEMBL1442450 0.84 MCHR1 (0.44) MCHR1WNT3ANPC1RAB9AMCL1
SCHEMBL1443413 0.83 SLC2A1 (0.45) MCHR1WNT3ANPC1RAB9AMCL1
SCHEMBL12812516 0.83 WNT3A (0.46) MCHR1WNT3ANPC1RAB9AMCL1
SCHEMBL1443755 0.83 RAB9A (0.48) MCHR1WNT3ANPC1RAB9AMCL1

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
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 MCHR1 3436/4885WNT3A 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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