SCHEMBL6791298

SCHEMBL6791298

c1ncnc(N2CCCNCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HRH1 P35367 1/20 0.53
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CASP1 P29466 1/20 0.50
CASP4 P49662 1/20 0.50
CASP5 P51878 1/20 0.50
CHRNB2 P17787 11/20 0.47
CHRNA4 P43681 11/20 0.47
CHRNA1 P02708 1/20 0.46
CHRNA7 P36544 1/20 0.46
TAAR1 Q96RJ0 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL1921433 0.92 KDM4E (0.63) KDM4EALDH1A1HRH1USP2SMN1; SMN2
SCHEMBL1254909 0.82 ALDH1A1 (0.81) KDM4EALDH1A1HRH1USP2SMN1; SMN2
SCHEMBL3195427 0.81 SORD (0.43) KDM4EALDH1A1HRH1USP2SMN1; SMN2
SCHEMBL9803609 0.81 SORD (0.43) KDM4EALDH1A1HRH1USP2SMN1; SMN2
Hydrochloric Acid SCHEMBL27146448 0.81 ALDH1A1 (0.85) KDM4EALDH1A1HRH1USP2SMN1; SMN2
SCHEMBL3185465 0.79 SORD (0.42) KDM4EHRH1USP2SMN1; SMN2TDP1
SCHEMBL3197967 0.79 SORD (0.42) KDM4EHRH1USP2SMN1; SMN2TDP1
SCHEMBL724177 0.79 SORD (0.42) KDM4EHRH1USP2SMN1; SMN2TDP1
SCHEMBL3198845 0.79 SORD (0.42) KDM4EHRH1USP2SMN1; SMN2TDP1
SCHEMBL3192090 0.79 SORD (0.42) KDM4EHRH1USP2SMN1; SMN2TDP1

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
US-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US disclosed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 US disclosed
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 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-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PRKCB, PRKCA, PRKCG KDM4E 1349/4885ALDH1A1 3069/4885HRH1 242/4885

“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.