SCHEMBL5113059

SCHEMBL5113059

Clc1ccc(CCNc2nc(-c3ccccc3)nc3ccccc23)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.64
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPK1 P28482 2/20 0.57
POLB P06746 1/20 0.57
ACP1 P24666 1/20 0.56
KDM4E B2RXH2 1/20 0.56
SLC2A1 P11166 1/20 0.55
ABCG2 Q9UNQ0 2/20 0.54
SIRT5 Q9NXA8 1/20 0.54
GBA1 P04062 2/20 0.53
ATM Q13315 1/20 0.53
TLR9 Q9NR96 1/20 0.53

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
SCHEMBL4864466 0.89 PDE5A (0.77) PDE5AMEN1KMT2APOLBABCG2
SCHEMBL4861504 0.87 PDE5A (0.78) PDE5AMEN1KMT2AMAPK1ACP1
SCHEMBL4868103 0.84 PDE5A (0.82) PDE5AMEN1KMT2AMAPK1POLB
SCHEMBL4867641 0.83 PDE5A (0.78) PDE5AMEN1KMT2AMAPK1KDM4E
SCHEMBL4868215 0.81 PDE5A (0.82) PDE5AMEN1KMT2AMAPK1POLB
SCHEMBL5100868 0.81 PDE5A (0.72) PDE5AMEN1KMT2AMAPK1ACP1
SCHEMBL8482469 0.80 HTT (0.68) KMT2AMAPK1KDM4E
SCHEMBL1085431 0.79 PDE5A (1.00) PDE5AMEN1KMT2AMAPK1ACP1
SCHEMBL4867321 0.79 PDE5A (0.69) PDE5AMEN1KMT2AMAPK1ACP1
SCHEMBL4863157 0.79 PDE5A (0.69) PDE5AMEN1KMT2AMAPK1ACP1

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-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2008-08-28 US claimed
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2008-08-28 US disclosed
EP-1844023-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2007-10-17 EP disclosed
WO-2006071095-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2006-07-06 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-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY GPR119, GCKR, GLP1R PDE5A 204/4885MEN1 3837/4885KMT2A 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.