SCHEMBL29910034

SCHEMBL29910034

Nc1cnc(-c2cccc(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
HRH1 P35367 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
IKBKB O14920 1/20 0.46
BRD4 O60885 1/20 0.46
SCN2A Q99250 2/20 0.46
ATR Q13535 1/20 0.45
MAOB P27338 2/20 0.45
KDM1A O60341 1/20 0.45
KCNA5 P22460 1/20 0.43
KCNH2 Q12809 1/20 0.43
IDO1 P14902 1/20 0.43
RORB Q92753 2/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK2 Q92630 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL20681149 1.00 ADORA2A (0.50) ADORA2AADORA1HRH1HRH4TSHR
SCHEMBL29739433 0.79 FEN1 (0.51) ADORA2AADORA1TDP1KDM4E
SCHEMBL40311 0.78 TSHR (0.53) ADORA2AADORA1HRH1HRH4TSHR
SCHEMBL11371122 0.77 ADORA2A (0.51) ADORA2AADORA1HRH1HRH4TDP1
SCHEMBL6234240 0.75 KDM1A (0.64) ADORA2AADORA1HRH1HRH4TSHR
SCHEMBL9046983 0.74 ADORA2A (0.46) ADORA2AADORA1HRH1HRH4TDP1
SCHEMBL2573330 0.73 TSHR (0.56) ADORA2AADORA1HRH1HRH4TSHR
SCHEMBL16835811 0.73 AXL (0.50) ADORA2ADYRK1A
SCHEMBL5318644 0.72 ADORA2A (0.60) ADORA2AADORA1HRH1HRH4TSHR
SCHEMBL31606903 0.72 ADORA2A (0.51) ADORA2AADORA1HRH1HRH4TSHR

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
CN-111094242-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2024-02-09 CN disclosed
US-20220267276-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2022-08-25 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-20220267276-A1 NLRP MODULATORS NLRP1, NRP1, NR4A3 ADORA2A 235/4885ADORA1 209/4885HRH1 2036/4885

“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.