SCHEMBL1614820

SCHEMBL1614820

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.42
KCNQ2 O43526 3/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 3/20 0.39
TYMP P19971 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
FPR1 P21462 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
DHFR P00374 1/20 0.36
BRD4 O60885 1/20 0.36
PLAT P00750 1/20 0.36
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 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
SCHEMBL1279161 0.88 KCNQ3 (0.43) KCNQ3KCNQ2MEN1KMT2AKDM4E
SCHEMBL1614119 0.85 DHFR (0.40) KCNQ3KCNQ2KDM4ETYMPCYP1A2
SCHEMBL1278758 0.84 KCNQ3 (0.49) KCNQ3KCNQ2MEN1KMT2AKDM4E
SCHEMBL15925796 0.83 HTR2C (0.39) MEN1KMT2AKDM4ECYP1A2CYP2D6
SCHEMBL1614054 0.81 MEN1 (0.41) MEN1KMT2AKDM4EHTTSMN1; SMN2
SCHEMBL1614570 0.81 ADORA2A (0.40) KCNQ3KCNQ2KMT2AKDM4ESMN1; SMN2
SCHEMBL1614259 0.81 DHFR (0.37) KCNQ3KCNQ2MEN1KMT2AKDM4E
SCHEMBL1614638 0.81 KCNQ3 (0.43) KCNQ3KCNQ2KDM4ETYMPCYP1A2
SCHEMBL1614110 0.80 KCNQ3 (0.45) KCNQ3KCNQ2MEN1KMT2AKDM4E
SCHEMBL1614156 0.80 KMT2A (0.39) MEN1KMT2AKDM4ETYMPCYP1A2

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 KCNQ3 12/4885KCNQ2 9/4885MEN1 1513/4885

“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.