Sugi Predict

Sugi Predict / Compounds / SCHEMBL6713800

SCHEMBL6713800

SCHEMBL6713800

CCCCOc1ccc(S(=O)(=O)Cl)cc1-c1nc2c(CCC)nn(C)c2c(=S)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.57
▸ PDE5A O76074 17/20 0.57
▸ PDE2A O00408 2/20 0.55
▸ PDE9A O76083 2/20 0.55
▸ PDE4A P27815 2/20 0.55
▸ PDE6C P51160 2/20 0.55
▸ PDE1A P54750 2/20 0.55
▸ PDE11A Q9HCR9 2/20 0.55
▸ PDE10A Q9Y233 2/20 0.55
▸ PDE3B Q13370 2/20 0.55
▸ PDE3A Q14432 2/20 0.55
▸ ABCC4 O15439 1/20 0.55
▸ ABCC5 O15440 1/20 0.55
▸ PDE6D O43924 1/20 0.55
▸ PDE8A O60658 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ HTR1A P08908 1/20 0.55
▸ PDE6A P16499 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
SCHEMBL5445750 0.96 KMT2A (0.62) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL5450370 0.93 KMT2A (0.71) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL6723139 0.92 KMT2A (0.58) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL5458125 0.90 KMT2A (0.59) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL6713733 0.90 KMT2A (0.60) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL6715447 0.87 PDE5A (0.74) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL1253 0.86 KMT2A (0.73) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL31202676 0.86 KMT2A (0.73) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL6719165 0.86 PDE5A (0.74) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL6715415 0.86 PDE5A (0.63) PDE5APDE2APDE9APDE4APDE6C

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
EP-1395593-A4 NOVEL PYRAZOLOPYRIMIDINETHIONE DERIVATIVES. PREPARATION METHODS THEREOF AND THEIR USE AS THERAPEUTICS FOR ERECTILE DYSFUNCTION KOREA INST SCI & TECH (KR) 2004-11-10 — — EP disclosed
US-20040176371-A1 Novel pyrazolopyrimidinethione derivatives, preparation methods thereof and their use as therapeutics for erectile dysfunction KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-09-09 — — US disclosed
EP-1395593-A1 NOVEL PYRAZOLOPYRIMIDINETHIONE DERIVATIVES. PREPARATION METHODS THEREOF AND THEIR USE AS THERAPEUTICS FOR ERECTILE DYSFUNCTION KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-03-10 — — EP disclosed
WO-2002102802-A1 NOVEL PYRAZOLOPYRIMIDINETHIONE DERIVATIVES. PREPARATION METHODS THEREOF AND THEIR USE AS THERAPEUTICS FOR ERECTILE DYSFUNCTION KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-12-27 — — 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-20040176371-A1 Novel pyrazolopyrimidinethione derivatives, preparation methods thereof and their use as therapeutics for erectile dysfunction PDE3B, PDE3A, PDE5A KMT2A 4233/4885KDM4E 1273/4885PDE5A 3/4885

“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.