SCHEMBL6786756

SCHEMBL6786756

Cn1ncc2nc3ccc(Cc4ccc(C#N)cc4)cc3c(Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
RORC P51449 6/20 0.40
HRH4 Q9H3N8 1/20 0.38
CYP11B2 P19099 3/20 0.36
DPP4 P27487 1/20 0.35
CYP19A1 P11511 2/20 0.35
CACNA1H O95180 3/20 0.35
SLC22A12 Q96S37 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
CYP11B1 P15538 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6781436 0.90 DPP4 (0.45) KDM4ECYP3A4CYP2C19HIF1ARORC
SCHEMBL6784794 0.87 CYP3A4 (0.46) KDM4ECYP3A4CYP2C19HIF1ARORC
SCHEMBL6786104 0.87 CYP3A4 (0.46) KDM4ECYP3A4CYP2C19HIF1ARORC
SCHEMBL6781552 0.85 CYP3A4 (0.44) KDM4ECYP3A4CYP2C19HIF1ARORC
SCHEMBL6785449 0.83 TUBB4A (0.46) KDM4ECYP3A4CYP2C19HIF1ARORC
SCHEMBL6782762 0.83 DPP4 (0.42) KDM4ECYP3A4CYP2C19HIF1ADPP4
SCHEMBL6786326 0.81 PDE2A (0.42) KDM4ECYP3A4CYP2C19HIF1ARORC
SCHEMBL6786196 0.81 DPP4 (0.35) KDM4ECYP3A4CYP2C19HIF1ARORC
SCHEMBL6784323 0.80 CYP3A4 (0.39) KDM4ECYP3A4CYP2C19HIF1ARORC
SCHEMBL6785324 0.79 LTA4H (0.47) KDM4ECYP3A4CYP2C19HIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US disclosed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 US disclosed
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 EP 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-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PRKCB, PRKCA, PRKCG KDM4E 1349/4885CYP3A4 4093/4885CYP2C19 3716/4885

“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.