SCHEMBL1279682

SCHEMBL1279682

Nc1[nH]nc(C(F)(F)F)c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
MAP3K14 Q99558 1/20 0.46
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ALPL P05186 1/20 0.41
GYS1 P13807 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LTA4H P09960 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SGK1 O00141 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
PSD A5PKW4 2/20 0.37
XBP1 P17861 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
SCHEMBL20837397 0.85 MAPK14 (0.43) MKNK1MKNK2GYS1KDM4EL3MBTL1
SCHEMBL2235270 0.85 IKBKB (0.37) IKBKBMAP3K14MKNK1MKNK2KDM4E
SCHEMBL20837302 0.83 ENPP1 (0.41) IKBKBMAP3K14L3MBTL1MEN1GAA
SCHEMBL1279168 0.83 L3MBTL1 (0.56) IKBKBMKNK1MKNK2GYS1KDM4E
SCHEMBL1846643 0.83 IKBKB (0.50) IKBKBGYS1KDM4EALDH1A1L3MBTL1
SCHEMBL20837142 0.81 MAPT (0.46) KDM4EMAPTNPSR1MEN1GAA
SCHEMBL20837311 0.80 KIF11 (0.45) GYS1L3MBTL1PSD
SCHEMBL13516075 0.77 IKBKB (0.68) IKBKBMAP3K14MKNK1MKNK2ALPL
SCHEMBL8493138 0.77 KIF11 (0.40) IKBKBMAP3K14MKNK1MKNK2ALPL
SCHEMBL6273563 0.75 RPS6KA3 (0.46) MKNK2GYS1MAPTNPSR1MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO 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
CN-101906105-B Pyrazolo (1,5-a) pyrimidone derivative as well as drug combination thereof and application thereof UNIV HEBEI MEDICAL 2013-01-16 CN disclosed
US-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof PEKING UNIVERSITY (CN) 2012-04-12 US disclosed
CN-101906105-A Pyrazolo (1,5-a) pyrimidone derivative as well as drug combination thereof and application thereof UNIV HEBEI MEDICAL 2010-12-08 CN 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 (3 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-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 IKBKB 394/4885MAP3K14 2265/4885MKNK1 913/4885
US-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof KCNJ2, KCNQ5, KCNJ11 IKBKB 2538/4885MAP3K14 1518/4885MKNK1 2179/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 IKBKB 394/4885MAP3K14 2265/4885MKNK1 913/4885

“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.