SCHEMBL5113514

SCHEMBL5113514

c1ccc(-c2nc(NCCC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.68
MAPK1 P28482 3/20 0.66
ACP1 P24666 2/20 0.64
SIRT5 Q9NXA8 1/20 0.61
GBA1 P04062 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ATM Q13315 1/20 0.61
TLR9 Q9NR96 1/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
KDM4E B2RXH2 1/20 0.56
CYP1A1 P04798 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP1B1 Q16678 1/20 0.56

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
SCHEMBL17799974 0.89 GBA1 (0.74) PDE5AMAPK1GBA1MEN1KMT2A
SCHEMBL17799893 0.88 GBA1 (0.56) PDE5AMAPK1ACP1GBA1MEN1
SCHEMBL17799977 0.86 GBA1 (0.54) PDE5AMAPK1ACP1SIRT5GBA1
SCHEMBL4860036 0.86 ACP1 (0.74) PDE5AMAPK1ACP1SIRT5GBA1
SCHEMBL5107759 0.85 ACP1 (0.74) PDE5AMAPK1ACP1GBA1MEN1
SCHEMBL17799835 0.83 SLC6A3 (0.53) PDE5AMAPK1ACP1TLR9POLB
SCHEMBL12674359 0.83 METAP1 (0.71) PDE5AMEN1KMT2AALDH1A1MAPT
SCHEMBL17800023 0.82 GBA1 (0.72) PDE5AMAPK1GBA1MEN1KMT2A
SCHEMBL17800020 0.81 SLC6A3 (0.54) PDE5AMAPK1GBA1TLR9POLB
SCHEMBL17799984 0.81 KDM1A (0.56) PDE5AMAPK1ACP1MEN1KMT2A

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 204/4885MAPK1 513/4885ACP1 3203/4885

“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.