Sugi Predict

Sugi Predict / Compounds / SCHEMBL1279161

SCHEMBL1279161

SCHEMBL1279161

O=c1cc(CCl)[nH]c2c(-c3cccc4ccccc34)c(Cl)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 4/20 0.43
▸ KCNQ2 O43526 4/20 0.43
▸ TYMP P19971 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALPL P05186 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ FPR1 P21462 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ ARF6 P62330 1/20 0.32

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
SCHEMBL1614820 0.88 KCNQ3 (0.42) KCNQ3KCNQ2TYMPKDM4EMEN1
SCHEMBL1278758 0.85 KCNQ3 (0.49) KCNQ3KCNQ2TYMPKDM4EMEN1
SCHEMBL15925796 0.72 HTR2C (0.39) KDM4EMEN1KMT2AGAASMN1; SMN2
SCHEMBL1614119 0.71 DHFR (0.40) KCNQ3KCNQ2TYMPKDM4EALPL
SCHEMBL15926365 0.70 ARF6 (0.36) KCNQ3KCNQ2TYMPMEN1KMT2A
SCHEMBL1614054 0.70 MEN1 (0.41) KDM4EMEN1KMT2AGAASMN1; SMN2
SCHEMBL15909033 0.70 KCNQ3 (0.39) KCNQ3KCNQ2KDM4EGAAARF6
SCHEMBL1614156 0.70 KMT2A (0.39) TYMPKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1613890 0.69 KCNQ3 (0.49) KCNQ3KCNQ2TYMPPSD
SCHEMBL1279301 0.69 ALOX5 (0.43) KDM4EMEN1KMT2AGAASMN1; SMN2

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 6 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-8796285-B2 Pyrazolo [1,5-a]-pyrimidones derivatives and pharmaceutical compositions and uses thereof HEBEI MEDICAL UNIVERSITY (CN) 2014-08-05 — — US disclosed
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
US-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof PEKING UNIVERSITY (CN) 2012-04-12 — — 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 9/4885TYMP 246/4885

“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.