SCHEMBL670236

SCHEMBL670236

CCCc1n[nH]c2c(=O)[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.46
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4A O75164 2/20 0.37
KDM4B O94953 2/20 0.37
KDM5C P41229 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
PNP P00491 5/20 0.35
PARP1 P09874 2/20 0.35

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
SCHEMBL18521204 0.87 PDPK1 (0.49) PDPK1ALDH1A1KDM4AKDM4BKDM5C
SCHEMBL14190552 0.75 PDPK1 (0.76) PDPK1ALDH1A1PNPPARP1
SCHEMBL7422389 0.73 PDE5A (0.50) PDPK1HPGDKDM4ERXFP1KDM4A
SCHEMBL21943367 0.73 PDPK1 (0.42) PDPK1ALDH1A1PNP
SCHEMBL6643757 0.72 PNP (0.56) PNP
SCHEMBL1945810 0.72 PNP (0.64) PDPK1KDM4AKDM4BKDM5CKDM5B
SCHEMBL1948229 0.72 PNP (0.61) PDPK1PNP
SCHEMBL4128983 0.71 PDE2A (0.40) ALDH1A1KMT2AKDM4EPARP1
SCHEMBL1415736 0.71 PNP (0.62) PNP
SCHEMBL1415550 0.71 PNP (0.62) PDPK1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099689-B1 PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF IMPOTENCE AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2022-01-26 EP disclosed
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 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-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B PDPK1 125/4885HPGD 117/4885ALDH1A1 130/4885

“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.