SCHEMBL13465491

SCHEMBL13465491

CC(=O)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PIK3CA P42336 1/20 0.49
MTOR P42345 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CASP1 P29466 1/20 0.46
CASP4 P49662 1/20 0.46
CASP5 P51878 1/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 3/20 0.44
EPAS1 Q99814 3/20 0.44
ABCB1 P08183 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK10 P53779 1/20 0.43
FAAH O00519 1/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 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
SCHEMBL1441991 0.95 HIF1A (0.53) KDM4EALDH1A1PIK3CAMTORMAPT
SCHEMBL12812472 0.94 RORC (0.49) KDM4EALDH1A1PIK3CAMTORNPC1
SCHEMBL1443399 0.92 NPC1 (0.46) KDM4EALDH1A1PIK3CAMTORNPC1
SCHEMBL12811813 0.91 RAB9A (0.45) KDM4EALDH1A1PIK3CAMTORNPC1
SCHEMBL1441768 0.90 NPC1 (0.46) KDM4EALDH1A1NPC1RAB9ACASP1
SCHEMBL1442382 0.90 NPC1 (0.46) KDM4EALDH1A1PIK3CAMTORNPC1
SCHEMBL1443280 0.90 DRD2 (0.51) KDM4EALDH1A1NPC1RAB9ACASP1
SCHEMBL10179627 0.90 FAAH (0.49) PIK3CAMTORNPC1RAB9ACASP1
SCHEMBL1442597 0.90 NPC1 (0.44) KDM4EALDH1A1PIK3CAMTORNPC1
SCHEMBL10179606 0.90 SMN1; SMN2 (0.59) KDM4EALDH1A1NPC1RAB9ACASP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 US 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 KDM4E 932/4885ALDH1A1 3857/4885PIK3CA 181/4885

“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.