SCHEMBL1649478

SCHEMBL1649478

O=c1cc(N2CCNCC2)[nH]c2c(-c3cccc4ccccc34)c(C(F)(F)F)nn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.40
KCNQ2 O43526 4/20 0.40
ARF6 P62330 3/20 0.38
ADRB2 P07550 1/20 0.38
CYP1A2 P05177 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
NCF1 P14598 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
MTOR P42345 1/20 0.37
HTR3A P46098 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
SCHEMBL1279203 0.91 KCNQ3 (0.41) KCNQ3KCNQ2ARF6KDM4EALDH1A1
SCHEMBL1614832 0.85 PLAT (0.43) ADRB2CYP1A2KDM4EALDH1A1HTR3E
SCHEMBL1279412 0.84 PLAT (0.46) KCNQ3KCNQ2ARF6ADRB2KDM4E
SCHEMBL1278711 0.81 KCNQ3 (0.46) KCNQ3KCNQ2ARF6CYP1A2KDM4E
SCHEMBL1279374 0.81 KCNQ3 (0.45) KCNQ3KCNQ2ARF6KDM4EALDH1A1
SCHEMBL1279360 0.79 KCNQ3 (0.48) KCNQ3KCNQ2ARF6KDM4EALDH1A1
SCHEMBL1279423 0.79 KCNQ3 (0.43) KCNQ3KCNQ2ARF6KDM4EALDH1A1
SCHEMBL1278758 0.78 KCNQ3 (0.49) KCNQ3KCNQ2ARF6KDM4EPLAT
SCHEMBL1279353 0.78 KCNQ3 (0.43) KCNQ3KCNQ2ARF6KDM4EHTR2A
SCHEMBL15909033 0.77 KCNQ3 (0.39) KCNQ3KCNQ2ARF6KDM4EALDH1A1

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 9/4885ARF6 3851/4885

“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.