SCHEMBL1111065

SCHEMBL1111065

O=CCNC(=O)c1cccc(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.52
▸ KAT6A Q92794 2/20 0.52
▸ P2RY12 Q9H244 2/20 0.50
▸ CTSA P10619 2/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ HPGD P15428 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ ELANE P08246 1/20 0.44
▸ CTSG P08311 1/20 0.44
▸ PSMB1 P20618 1/20 0.44
▸ CMA1 P23946 1/20 0.44
▸ PSMB8 P28062 1/20 0.44
▸ PSMB9 P28065 1/20 0.44

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
SCHEMBL20266989 0.84 P2RY12 (0.54) CNR2KAT6AP2RY12CTSACNR1
SCHEMBL18377768 0.82 KAT6A (0.55) CNR2KAT6AP2RY12CTSACNR1
SCHEMBL26571005 0.82 EGLN1 (0.61) CNR2KAT6AP2RY12CTSACNR1
SCHEMBL2551394 0.80 KAT6A (0.58) CNR2KAT6AP2RY12CTSACNR1
SCHEMBL8004243 0.79 P2RY12 (0.56) CNR2KAT6AP2RY12CTSACNR1
SCHEMBL5785702 0.78 CNR2 (0.78) CNR2KAT6ACTSACNR1POLB
SCHEMBL10052381 0.78 CNR2 (0.56) CNR2KAT6AP2RY12CTSACNR1
SCHEMBL13188337 0.78 KAT6A (0.60) CNR2KAT6ACTSACNR1POLB
SCHEMBL522907 0.77 HDAC6 (0.51) P2RY12HPGDPOLBCYP3A4CYP1A2
SCHEMBL10989972 0.75 LMNA (0.68) CNR2KAT6AP2RY12CTSAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058263-B2 Substituted 2-phenyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2011-11-15 — — US disclosed
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-24 — — US disclosed
EP-2279191-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-02-02 — — EP disclosed
WO-2009125366-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 — — 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-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES P2RY12, P2RY13, P2RY11 CNR2 59/4885KAT6A 4460/4885P2RY12 1/4885

“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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