SCHEMBL5459243

SCHEMBL5459243

CCCc1nn(CC)c2c(=S)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.55
PDE5A O76074 17/20 0.54
PDE3B Q13370 3/20 0.53
PDE3A Q14432 3/20 0.53
PDE2A O00408 2/20 0.53
PDE9A O76083 2/20 0.53
PDE4A P27815 2/20 0.53
PDE6C P51160 2/20 0.53
PDE1A P54750 2/20 0.53
PDE11A Q9HCR9 2/20 0.53
PDE10A Q9Y233 2/20 0.53
ABCC4 O15439 1/20 0.53
ABCC5 O15440 1/20 0.53
PDE6D O43924 1/20 0.53
PDE8A O60658 1/20 0.53
ABCB11 O95342 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR1A P08908 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
SCHEMBL1263 0.90 KMT2A (0.68) KMT2AKDM4EPOLBPDE5APDE3B
SCHEMBL5450370 0.90 KMT2A (0.71) KMT2AKDM4EPOLBPDE5APDE3B
SCHEMBL5455423 0.85 PDE5A (0.57) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL5455416 0.85 PDE5A (0.57) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL5445750 0.84 KMT2A (0.62) KMT2AKDM4EPOLBPDE5APDE3B
SCHEMBL6713800 0.83 KMT2A (0.61) KMT2AKDM4EPOLBPDE5APDE3B
SCHEMBL5459779 0.82 PDE5A (0.64) KMT2AKDM4EPOLBPDE5APDE3B
SCHEMBL1071 0.82 KMT2A (0.83) KMT2AKDM4EPOLBPDE5APDE3B
SCHEMBL5458125 0.82 KMT2A (0.59) KMT2AKDM4EPOLBPDE5APDE3B
SCHEMBL29655374 0.82 KMT2A (0.83) KMT2AKDM4EPOLBPDE5APDE3B

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-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof THE INSTITUTE OF RADIATION MEDICINE, ACADEMY OF MILITARY MEDICAL SCIENCES, PLA (CN) 2007-09-20 US disclosed
EP-1695976-A1 PYRAZOLOPYRIMIDINETHIONE DERIVATIVES, SALTS AND SOLVATES THEREOF, PREPARATION METHODS AND USE THEREOF Institute of Radiation Medicine Academy of Military Medical Sciences of the Pla (CN) 2006-08-30 EP 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-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof PDE5A, PDE3B, PDE3A KMT2A 3164/4885KDM4E 2094/4885POLB 1642/4885

“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.