SCHEMBL1179377

SCHEMBL1179377

Cc1cc(C(=O)O)nc(NCC2CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCP P55072 14/20 0.57
KDM4E B2RXH2 5/20 0.48
RECQL P46063 1/20 0.48
ATM Q13315 1/20 0.47
KMT2A Q03164 1/20 0.45
RBP4 P02753 1/20 0.43
TTR P02766 1/20 0.43
MAPK1 P28482 1/20 0.43
ASPH Q12797 1/20 0.42
RIOX2 Q8IUF8 1/20 0.42
KDM8 Q8N371 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
SCHEMBL1180020 0.80 KMT2A (0.51) VCPKDM4EKMT2AMAPK1
SCHEMBL2877605 0.78 KMO (0.49) VCPKDM4EASPHRIOX2KDM8
SCHEMBL1178661 0.77 KDM4E (0.57) VCPKDM4EATMKMT2AMAPK1
SCHEMBL1178837 0.77 MCHR1 (0.45) KDM4EATM
SCHEMBL1178977 0.76 ESR1 (0.49) VCPKDM4EKMT2AMAPK1
SCHEMBL2713671 0.75 ADORA1 (0.51) KDM4EKMT2A
SCHEMBL1180441 0.74 MAPT (0.44) KDM4ERECQLKMT2ARBP4MAPK1
SCHEMBL30270571 0.73 KMT2A (0.53) VCPKDM4EATMKMT2AMAPK1
SCHEMBL25925699 0.73 KMT2A (0.53) VCPKDM4EATMKMT2AMAPK1
SCHEMBL22809648 0.72 ADORA1 (0.53) KDM4E

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
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
EP-2217594-B1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-01-08 EP disclosed
US-8299086-B2 Pyrimidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-30 US disclosed
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-24 US disclosed
EP-2262800-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 EP disclosed
US-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-16 US disclosed
EP-2217594-A2 NOVEL PYRIMIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-08-18 EP disclosed
WO-2009109907-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
WO-2009057079-A2 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-05-07 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 (2 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-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD VCP 4025/4885KDM4E 1738/4885RECQL 204/4885
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES TYMP, DPYD, ENTPD5 VCP 3535/4885KDM4E 1861/4885RECQL 1350/4885

“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.