SCHEMBL6742485

SCHEMBL6742485

Cc1c(C(F)(F)F)cnc(O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.35
AR P10275 3/20 0.33
ASPH Q12797 1/20 0.33
AURKA O14965 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31
P2RX7 Q99572 1/20 0.30
CYP1A2 P05177 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL29930638 1.00 COMT (0.35) COMTARASPHAURKATMPRSS4
SCHEMBL6739221 0.80 ASPH (0.34) COMTASPHAURKA
SCHEMBL23664435 0.80 MBOAT4 (0.32) COMTARASPHP2RX7CYP1A2
SCHEMBL6740290 0.80 PIK3CD (0.38) COMTARASPHP2RX7CYP1A2
SCHEMBL30593133 0.77 ASPH (0.33) ASPHAURKA
SCHEMBL21606876 0.77 PIK3CD (0.36) ARAURKA
SCHEMBL6742024 0.77 PIK3CD (0.36) COMTASPHAURKA
SCHEMBL26608462 0.77 ASPH (0.33) ASPHAURKA
Hydrochloric Acid SCHEMBL27573305 0.76 PIK3CD (0.35) ARAURKA
SCHEMBL31214152 0.74 PIK3CD (0.39) COMTASPHCYP1A2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110461828-B IP6K inhibitors 武田药品工业株式会社 2022-07-19 CN disclosed
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
EP-1335903-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-08-20 EP disclosed
WO-2002042275-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 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 (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-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 COMT 761/4885AR 4028/4885ASPH 1447/4885

“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.