SCHEMBL4864646

SCHEMBL4864646

FC(F)(F)c1ccccc1CNc1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.67
USP1 O94782 10/20 0.64
WDR48 Q8TAF3 10/20 0.64
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
GBA1 P04062 1/20 0.63
ATM Q13315 1/20 0.63
LMNA P02545 2/20 0.61
MAPT P10636 1/20 0.61
USP2 O75604 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
PIP4K2C Q8TBX8 1/20 0.56
REN P00797 1/20 0.55
ALOX15 P16050 1/20 0.55
CASP1 P29466 1/20 0.55

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
SCHEMBL21567239 0.83 APP (0.62) PDE5AUSP1WDR48MEN1KMT2A
SCHEMBL4864023 0.83 PDE5A (0.71) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL4867676 0.80 PDE5A (0.71) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL4864159 0.80 PDE5A (1.00) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL4868136 0.80 MEN1 (0.76) PDE5AUSP1WDR48MEN1KMT2A
SCHEMBL21567280 0.78 BCHE (0.66) USP1WDR48KMT2ALMNAMAPT
SCHEMBL30092930 0.78 BCHE (0.66) USP1WDR48KMT2ALMNAMAPT
SCHEMBL1083763 0.78 PDE5A (1.00) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL9430904 0.77 EGFR (0.68) PDE5AUSP1WDR48MEN1KMT2A
SCHEMBL4859994 0.77 CYP1A2 (0.81) PDE5AMEN1KMT2AGBA1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2008-08-28 US claimed
JP-2008526734-A 2008-07-24 JP claimed
EP-1844023-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2007-10-17 EP claimed
WO-2006071095-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2006-07-06 WO claimed
US-7462633-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2008-12-09 US 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-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY GPR119, GCKR, GLP1R PDE5A 204/4885USP1 2384/4885WDR48 641/4885

“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.