SCHEMBL6785382

SCHEMBL6785382

Cn1ncc2nc3ccc(Br)cc3c(Cl)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP3 P42574 3/20 0.43
HTT P42858 1/20 0.42
NT5E P21589 1/20 0.40
MPO P05164 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35

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
SCHEMBL6787760 0.82 MAPT (0.43) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL6786104 0.77 CYP3A4 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL6784794 0.77 CYP3A4 (0.46) CYP1A2CYP2C9CYP2C19TP53MAPT
SCHEMBL6786136 0.77 BRD4 (0.45) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL6781849 0.76 PDE2A (0.38) CYP2C19TP53MAPTALDH1A1LMNA
SCHEMBL6785905 0.75 ALDH1A1 (0.42) CYP1A2CYP2C9HTTMEN1KMT2A
SCHEMBL6781479 0.75 RORC (0.41) HTTALDH1A1MAPK1
SCHEMBL6781552 0.75 CYP3A4 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6784975 0.74 IP6K1 (0.41) CYP2C9HTTMEN1KMT2AMAPT
SCHEMBL6786326 0.74 PDE2A (0.42) CYP1A2CYP2C9CYP2C19MEN1KMT2A

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 RXFP1 2725/4885CYP1A2 3063/4885CYP2D6 3592/4885

“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.