SCHEMBL20837397

SCHEMBL20837397

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.43
ENPP1 P22413 1/20 0.40
GYS1 P13807 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
KDR P35968 2/20 0.36
CRHBP P24387 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
CRHR2 Q13324 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 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
SCHEMBL1279682 0.85 IKBKB (0.46) GYS1L3MBTL1MAPTKDM4EMEN1
SCHEMBL20837302 0.85 ENPP1 (0.41) ENPP1L3MBTL1MEN1KMT2APOLB
SCHEMBL1279168 0.84 L3MBTL1 (0.56) ENPP1GYS1L3MBTL1MAPTKDM4E
SCHEMBL20837136 0.83 IKBKB (0.37) L3MBTL1MEN1KMT2ANOTUM
SCHEMBL20837142 0.82 MAPT (0.46) ENPP1MAPTKDM4EMEN1RAB9A
SCHEMBL20837311 0.81 KIF11 (0.45) GYS1L3MBTL1KDRCDK5DYRK1A
SCHEMBL20837143 0.81 IKBKB (0.43) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL1846643 0.78 IKBKB (0.50) GYS1L3MBTL1MAPTKDM4ERAB9A
SCHEMBL2235270 0.76 IKBKB (0.37) L3MBTL1KDM4EMKNK1MKNK2IDO1
SCHEMBL20837280 0.76 GAA (0.36) L3MBTL1MAPTMEN1KMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof ADURO BIOTECH INC. (US) 2020-08-11 US disclosed
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF CHINOOK THERAPEUTICS, INC. 2019-04-25 US disclosed
WO-2019055750-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF Aduro Biotech, Inc. (US) 2019-03-21 WO 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 (2 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-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof NLRP3, NLRP1, P2RX7 MAPK14 2075/4885ENPP1 316/4885GYS1 4126/4885
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF NLRP3, NLRP1, P2RX7 MAPK14 2075/4885ENPP1 316/4885GYS1 4126/4885

“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.