SCHEMBL1442610

SCHEMBL1442610

Cc1cccc(CC(=O)Nc2ccc(-c3ccc4ncc(N5CCN(c6ccncc6)CC5)nc4c3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.54
▸ PSEN2 P49810 1/20 0.54
▸ APH1B Q8WW43 1/20 0.54
▸ NCSTN Q92542 1/20 0.54
▸ APH1A Q96BI3 1/20 0.54
▸ PSENEN Q9NZ42 1/20 0.54
▸ MAPT P10636 1/20 0.51
▸ WNT3A P56704 4/20 0.44
▸ BCHE P06276 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ KCNQ2 O43526 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
SCHEMBL1443357 0.91 WNT3A (0.50) MAPTWNT3AHTR1ADRD2NPC1
SCHEMBL1442495 0.91 HTR1A (0.52) MAPTWNT3AHTR1ADRD2NPC1
SCHEMBL10179359 0.90 KCNQ2 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12812486 0.90 F10 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27882087 0.90 WNT3A (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10178943 0.90 MAPT (0.52) MAPTWNT3AROCK2NPC1RAB9A
SCHEMBL1442619 0.89 HTR1A (0.53) WNT3AHTR1ADRD2NPC1RAB9A
SCHEMBL1443679 0.88 MAPT (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1443398 0.88 HTR1A (0.54) MAPTWNT3AHTR1ADRD2NPC1
SCHEMBL10179659 0.87 WNT3A (0.48) WNT3AHTR1ADRD2MEN1KMT2A

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
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
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 PSEN1 1446/4885PSEN2 1114/4885APH1B 3049/4885

“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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