SCHEMBL1278633

SCHEMBL1278633

O=c1cc(-c2ccccc2)[nH]c2c(-c3cccs3)c(C(Cl)(Cl)Cl)nn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
MAPK14 Q16539 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1278980 0.89 ALDH1A1 (0.43) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL1279267 0.83 KCNQ3 (0.37) MAPK14ADORA3PARP1ADORA2ATYMP
SCHEMBL1613668 0.83 ADORA3 (0.39) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL1279377 0.82 ARF6 (0.46) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL1278817 0.81 SMN1; SMN2 (0.39) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL1648643 0.80 KCNQ3 (0.41) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL1278976 0.78 PDE10A (0.43) KDM4EMAPTMAPK14L3MBTL1PKM
SCHEMBL1279582 0.77 KDM4E (0.46) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL1614734 0.76 MAPK14 (0.40) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL1279185 0.76 KCNQ3 (0.54) ALDH1A1MEN1KMT2AMAPTCYP1A2

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 HPGD 569/4885ALDH1A1 159/4885KDM4E 1364/4885

“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.