SCHEMBL1614570

SCHEMBL1614570

Cc1nn2c(=O)cc(-c3ccccc3)[nH]c2c1-c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
PSD A5PKW4 1/20 0.38
DHFR P00374 1/20 0.37
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
LDHA P00338 1/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL1614156 0.91 KMT2A (0.39) HTR2AHTR2CPSDALDH1A1SMN1; SMN2
SCHEMBL1613592 0.90 KDM4E (0.43) GAAALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL19084584 0.88 PSD (0.54) ADORA2AADORA1PSDALDH1A1LMNA
SCHEMBL1614608 0.87 PSD (0.47) ADORA2AADORA1PSDGAAALDH1A1
SCHEMBL1614119 0.86 DHFR (0.40) HTR2AHTR2CPSDDHFRKCNQ3
SCHEMBL1614653 0.86 PDGFRB (0.48) LMNASMN1; SMN2HSD17B10KDM4EMAPT
SCHEMBL1614238 0.85 KCNQ3 (0.38) ADORA2AADORA1HTR2AHTR2CDHFR
SCHEMBL1614504 0.84 ADORA2A (0.45) ADORA2AADORA1GAAALDH1A1LMNA
SCHEMBL1279423 0.84 KCNQ3 (0.43) ADORA2AADORA1PSDKCNQ3KCNQ2
SCHEMBL1614874 0.83 KCNQ3 (0.38) ADORA2AADORA1HTR2AHTR2CPSD

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-8796285-B2 Pyrazolo [1,5-a]-pyrimidones derivatives and pharmaceutical compositions and uses thereof HEBEI MEDICAL UNIVERSITY (CN) 2014-08-05 US disclosed
US-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof PEKING UNIVERSITY (CN) 2012-04-12 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-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof KCNJ2, KCNQ5, KCNJ11 ADORA2A 190/4885ADORA1 112/4885HTR2A 655/4885

“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.