SCHEMBL7796288

SCHEMBL7796288

COc1ccc(Cc2nc(N3CCC(O)CC3)nc3ccc(C#N)c(N)c23)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.45
PDE2A O00408 2/20 0.45
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9096936 0.90 PDE5A (0.47) PDE5A
Hydrochloric Acid SCHEMBL4219637 0.82 PDE5A (0.58) PDE5APDE2A
SCHEMBL7787705 0.81 CTSL (0.41) PDE5APDE2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6722823 0.76 PDE5A (0.57) PDE5APDE2A
SCHEMBL7796197 0.74 PDE4A (0.44) PDE5APDE2AKDM4E
Hydrochloric Acid SCHEMBL7914734 0.73 PDE5A (0.60) PDE5APDE2A
SCHEMBL7503452 0.72 PDE5A (0.71) PDE5APDE2A
SCHEMBL27376213 0.71 ALDH1A1 (0.42) PDE5APDE2AKDM4EMEN1USP2
SCHEMBL8863081 0.69 PDE4A (0.51) PDE5APDE2AKDM4EMEN1ALDH1A1
SCHEMBL7794732 0.66 PDE4A (0.49) PDE5APDE2AKDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives PAMUKCU RIFAT (US) 2001-10-18 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-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives MKI67, PCNA, NQO2 PDE5A 2260/4885PDE2A 1782/4885KDM4E 3242/4885

“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.