SCHEMBL20181909

SCHEMBL20181909

CCC(C)(C)Cc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
PDE2A O00408 3/20 0.42
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
SLC6A4 P31645 5/20 0.38
HTR2A P28223 4/20 0.38
KCNH2 Q12809 4/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MRGPRX4 Q96LA9 4/20 0.37
P2RX7 Q99572 1/20 0.36
MCL1 Q07820 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 1/20 0.35

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
SCHEMBL16997378 0.84 PDE2A (0.46) DAOPDE2ASLC6A4HTR2AKCNH2
SCHEMBL21654297 0.81 IDO1 (0.50) DAOPDE2ASLC6A4SLC6A2IDO1
SCHEMBL2669965 0.80 DAO (0.51) DAOPDE2ASLC6A4HTR2AKCNH2
SCHEMBL25039130 0.79 P2RX7 (0.40) ALDH1A1MAPTP2RX7KDM4E
SCHEMBL19308329 0.79 GGPS1 (0.50) SLC6A4KCNH2MAPTSLC6A2KDM4E
SCHEMBL15943539 0.77 FDPS (0.34) SLC6A4HTR2ASLC6A2IDO1
SCHEMBL9921252 0.77 RAB9A (0.34) SLC6A4HTR2AKCNH2MAPTP2RX7
SCHEMBL3765975 0.77 DAO (0.48) DAOPDE2ASLC6A4HTR2AKCNH2
SCHEMBL14565894 0.76 GRIN2D (0.32)
SCHEMBL14565885 0.75 ESR1 (0.37) PPARASLC6A4HTR2ASLC6A2

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-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-05-18 US disclosed
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2018-05-24 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 (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-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof APRT, GART, PNP DAO 349/4885PDE2A 457/4885PPARD 463/4885
US-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof APRT, GART, PNP DAO 349/4885PDE2A 457/4885PPARD 463/4885

“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.