SCHEMBL1443450

SCHEMBL1443450

Cc1ccc(CC(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.53
PORCN Q9H237 1/20 0.49
WNT3A P56704 6/20 0.48
HTR1A P08908 2/20 0.47
DRD2 P14416 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 1/20 0.44
GLS O94925 1/20 0.43
TP53 P04637 1/20 0.43
DYRK1A Q13627 1/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
HTR2C P28335 1/20 0.42
MCHR1 Q99705 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
SCHEMBL12812472 0.94 RORC (0.49) RORCPORCNWNT3AHTR1ADRD2
SCHEMBL12812055 0.94 RORC (0.48) RORCPORCNWNT3AHTR1ADRD2
SCHEMBL10179675 0.94 HTR1A (0.52) RORCPORCNWNT3AHTR1ADRD2
SCHEMBL1442810 0.94 HTR1A (0.51) RORCPORCNWNT3AHTR1ADRD2
SCHEMBL1443280 0.94 DRD2 (0.51) RORCPORCNWNT3AHTR1ADRD2
SCHEMBL12812052 0.93 PSEN1 (0.51) RORCPORCNWNT3AHTR1ADRD2
SCHEMBL12812462 0.92 HTR1A (0.47) RORCPORCNWNT3AHTR1ADRD2
SCHEMBL1442424 0.92 DRD2 (0.47) RORCPORCNWNT3AHTR1ADRD2
SCHEMBL1443710 0.92 DRD2 (0.47) RORCPORCNWNT3AHTR1ADRD2
SCHEMBL27865624 0.92 HTR1A (0.47) RORCPORCNWNT3AHTR1ADRD2

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
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
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 RORC 2691/4885PORCN 4271/4885WNT3A 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.