SCHEMBL29326510

SCHEMBL29326510

CC(F)(F)c1ccncc1-n1c(=O)[nH]c2cc(-c3ccccc3Cl)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.44
PTGES O14684 6/20 0.39
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
PDE10A Q9Y233 1/20 0.38
METAP2 P50579 1/20 0.36
PAK1 Q13153 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
HIPK2 Q9H2X6 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
SCHEMBL27378705 0.93 TNKS2 (0.43) TNKS2PTGESCYP2C9CYP3A4CYP2C19
SCHEMBL27192123 0.85 TNKS2 (0.54) TNKS2PTGESCYP2C9CYP3A4CYP2C19
SCHEMBL31018955 0.85 TNKS2 (0.54) TNKS2PTGESCYP2C9CYP3A4CYP2C19
SCHEMBL27378704 0.85 TNKS2 (0.47) TNKS2PTGESCYP2C9CYP3A4CYP2C19
SCHEMBL27191930 0.81 TNKS2 (0.53) TNKS2PTGESCYP2C9CYP3A4CYP2C19
SCHEMBL30702006 0.81 TNKS2 (0.53) TNKS2PTGESCYP2C9CYP3A4CYP2C19
SCHEMBL30701959 0.79 CYP3A4 (0.43) TNKS2PTGESCYP2C9CYP3A4CYP2C19
SCHEMBL27191803 0.79 CYP3A4 (0.43) TNKS2PTGESCYP2C9CYP3A4CYP2C19
SCHEMBL27191731 0.79 TNKS2 (0.46) TNKS2PTGESCYP2C9CYP3A4CYP2C19
SCHEMBL27378701 0.78 ALDH1A1 (0.55) TNKS2PTGESCYP2C9CYP3A4CYP2C19

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE TNKS2 619/4885PTGES 1477/4885CYP2C9 263/4885

“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.