SCHEMBL6811716

SCHEMBL6811716

CCc1nn(Cc2ccccn2)c2c(=O)[nH]c(-c3cc(S(C)(=O)=O)ccc3OCCOC)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.53
PDE6C P51160 2/20 0.50
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HDAC1 Q13547 1/20 0.44
POLB P06746 1/20 0.44
PDE2A O00408 1/20 0.43
ABCC4 O15439 1/20 0.43
ABCC5 O15440 1/20 0.43
PDE6D O43924 1/20 0.43
PDE8A O60658 1/20 0.43
PDE9A O76083 1/20 0.43
ABCB11 O95342 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
PDE6A P16499 1/20 0.43
PDE6G P18545 1/20 0.43
PDE4A P27815 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL6631120 0.94 PDE5A (0.60) PDE5APDE6CKMT2AKDM4EPOLB
SCHEMBL6630001 0.93 PDE5A (0.56) PDE5APDE6CKMT2AKDM4EHDAC1
SCHEMBL6630131 0.89 PDE5A (0.50) PDE5APDE6CKMT2AKDM4EHDAC1
SCHEMBL5079364 0.82 PDE5A (0.79) PDE5APDE6CPDE11A
SCHEMBL6332294 0.81 PDE5A (0.52) PDE5APDE6CKMT2AKDM4EPDE2A
SCHEMBL6630690 0.81 KMT2A (0.43) PDE5APDE6CKMT2AKDM4EHDAC1
SCHEMBL6446241 0.79 PDE5A (0.80) PDE5APDE6C
SCHEMBL6332281 0.77 PDE5A (0.61) PDE5APDE6CKMT2AKDM4EPDE2A
SCHEMBL6330329 0.77 PDE5A (0.66) PDE5APDE6CPDE2AABCC4ABCC5
SCHEMBL5595608 0.77 PDE5A (0.69) PDE5APDE6CHDAC1PDE2AABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 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-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE6C 24/4885KMT2A 4435/4885

“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.