SCHEMBL4307227

SCHEMBL4307227

Cc1nccc(-c2ccccc2C(F)(F)F)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.47
CDC7 O00311 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
SCN9A Q15858 4/20 0.43
TACR1 P25103 2/20 0.42
HSD11B1 P28845 1/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 1/20 0.42
PARP1 P09874 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL3759587 0.82 AAK1 (0.38) KMOCDC7CCNE1CDK2DBF4
SCHEMBL4307223 0.81 CDC7 (0.48) KMOCDC7CCNE1CDK2DBF4
SCHEMBL27473965 0.80 MKNK1 (0.46) CYP1A2CYP3A4HSD17B10ALDH1A1ALOX15
SCHEMBL4302003 0.80 SCN9A (0.50) SCN9ACYP3A4ALDH1A1SCN10AGPBAR1
SCHEMBL2484725 0.78 PARP1 (0.49) KMOCDC7CCNE1CDK2DBF4
SCHEMBL23199045 0.77 NTRK1 (0.52) CDC7TACR1ALDH1A1MKNK1MKNK2
SCHEMBL9728870 0.76 NTRK1 (0.65) KMOCDC7CCNE1CDK2DBF4
SCHEMBL16487053 0.75 FYN (0.47) CDC7CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL27707931 0.75 SCN9A (0.44) CDC7CCNE1CDK2DBF4SCN9A
Acetic Acid SCHEMBL27846617 0.75 NTRK1 (0.50) CDC7TACR1ALDH1A1MKNK1MKNK2

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-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US claimed

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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 KMO 3871/4885CDC7 4431/4885CCNE1 395/4885

“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.