SCHEMBL522519

SCHEMBL522519

O=C(O)c1cc(Cl)nc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.53
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
XDH P47989 1/20 0.47
PIN1 Q13526 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
IP6K1 Q92551 1/20 0.44
IP6K3 Q96PC2 1/20 0.44
IP6K2 Q9UHH9 1/20 0.44
LDHA P00338 1/20 0.44
CNR2 P34972 1/20 0.44
CFTR P13569 1/20 0.44
SRD5A2 P31213 1/20 0.43
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
MRGPRX4 Q96LA9 1/20 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
SCHEMBL3057750 0.82 KMO (0.50) KMOKDM4ESMN1; SMN2PIN1LDHA
SCHEMBL523744 0.81 LMNA (0.56) KMOKMT2AALDH1A1MEN1POLB
SCHEMBL16517791 0.79 LMNA (0.41) KMOKMT2AMEN1KDM4ENPC1
SCHEMBL1085327 0.75 ALDH1A1 (0.59) KMOKMT2AALDH1A1MEN1KDM4E
SCHEMBL14152109 0.74 KMO (0.66) KMOKMT2AALDH1A1MEN1KDM4E
SCHEMBL20426104 0.74 ABCG2 (0.55) KMT2AALDH1A1NPC1RAB9ACNR2
SCHEMBL4772425 0.74 KMO (0.54) KMOKMT2AALDH1A1MEN1KDM4E
SCHEMBL523886 0.74 SCN9A (0.49) KMOKMT2AMEN1KDM4E
SCHEMBL16038291 0.73 ABCG2 (0.55) KMOKMT2AALDH1A1MEN1KDM4E
SCHEMBL3237818 0.73 JUN (0.42) KMOMRGPRX4CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417128-B1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES AS ADP RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-02 EP disclosed
US-8518912-B2 Phosphonic acid derivates and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-08-27 US disclosed
US-8288385-B2 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
EP-2225253-B1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-27 EP disclosed
EP-2417128-A2 6-(3-AZA-BICYCLOÝ3.1.0¨HEX-3-YL)-2-PHENYL-PYRIMIDINES Actelion Pharmaceuticals Ltd. (CH) 2012-02-15 EP disclosed
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2012-02-02 US disclosed
WO-2010116328-A2 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2010-10-14 WO disclosed
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 US disclosed
EP-2225253-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009069100-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-04 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-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 KMO 1642/4885KMT2A 4163/4885ALDH1A1 1854/4885
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES P2RY12, P2RY13, P2RY6 KMO 778/4885KMT2A 3240/4885ALDH1A1 1662/4885

“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.