SCHEMBL10179243

SCHEMBL10179243

O=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CCN(c5ccccn5)CC4)nc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ WNT3A P56704 4/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.50
▸ MAPT P10636 2/20 0.50
▸ DRD2 P14416 3/20 0.48
▸ DRD4 P21917 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ DRD3 P35462 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ GFER P55789 1/20 0.47
▸ SLC2A1 P11166 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45

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
SCHEMBL1442520 0.93 WNT3A (0.48) NPSR1WNT3AKDM4ENPC1RAB9A
SCHEMBL1442679 0.91 WNT3A (0.47) WNT3AKDM4ENPC1RAB9AALDH1A1
SCHEMBL1443467 0.91 KMT2A (0.54) NPSR1WNT3AKDM4ENPC1RAB9A
SCHEMBL1443409 0.91 MAPT (0.56) THRBWNT3AKDM4ENPC1RAB9A
SCHEMBL27865680 0.90 WNT3A (0.49) WNT3AKDM4ENPC1RAB9AALDH1A1
SCHEMBL12812493 0.90 DRD2 (0.49) NPSR1THRBWNT3AKDM4ENPC1
SCHEMBL1442689 0.90 SMN1; SMN2 (0.56) THRBWNT3AKDM4ENPC1RAB9A
SCHEMBL1442495 0.89 HTR1A (0.52) WNT3AKDM4ENPC1RAB9AALDH1A1
SCHEMBL10180949 0.89 NPC1 (0.57) WNT3ANPC1RAB9ADRD2MEN1
SCHEMBL12811812 0.89 MEN1 (0.60) WNT3AKDM4ENPC1RAB9AALDH1A1

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
CN-102596932-A Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER SCHERING PHARMA AG 2012-07-18 — — CN 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-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 NPSR1 2596/4885THRB 520/4885WNT3A 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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