SCHEMBL6796072

SCHEMBL6796072

Cc1csc(-c2n[nH]nc2-c2cccc(OCF)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.38
MET P08581 1/20 0.37
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SREBF2 Q12772 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
TGFBR1 P36897 5/20 0.35
BMPR1A P36894 1/20 0.35
SMAD2 Q15796 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 1/20 0.34
FGFR2 P21802 1/20 0.34

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
SCHEMBL6623201 0.72 MEN1 (0.46) AOC3CYP19A1KDM4ELMNAMAPT
SCHEMBL6620807 0.71 ALDH1A1 (0.48) CYP2C9KDM4ELMNAMAPTALDH1A1
SCHEMBL6622341 0.70 POLB (0.40) KDM4EMAPTTDP1TGFBR1BMPR1A
SCHEMBL9261384 0.67 GRM5 (0.48) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL16772203 0.65 MAPT (0.59) CYP3A4CYP19A1KDM4ELMNAMAPT
SCHEMBL5547117 0.62 KDM4E (0.56) METCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL7467666 0.62 LTA4H (0.51)
SCHEMBL12266908 0.62 CYP2E1 (0.57) METCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4737237 0.61 TP53 (0.45) CYP3A4LMNAALDH1A1
SCHEMBL2095228 0.61 CYP2E1 (0.49) METCYP2E1CYP3A4CYP2A6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266842-A1 Thiazolyl substituted triazoles as alk5 inhibitors GASTER LARAMIE MARY 2004-12-30 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-20040266842-A1 Thiazolyl substituted triazoles as alk5 inhibitors CBR3, CBR1, ALK AOC3 233/4885MET 183/4885CYP2E1 163/4885

“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.