SCHEMBL5329622

SCHEMBL5329622

N#Cc1c[nH]c2cc(F)c(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.44
IMPDH2 P12268 3/20 0.41
IMPDH1 P20839 1/20 0.41
IDO1 P14902 1/20 0.40
DPYD Q12882 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
HASPIN Q8TF76 1/20 0.38
TDO2 P48775 3/20 0.35
DYRK1A Q13627 1/20 0.34
DAO P14920 3/20 0.34
KDM4E B2RXH2 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE7B Q9NP56 1/20 0.33

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
SCHEMBL8320200 0.87 IMPDH2 (0.37) GPR84IMPDH2IMPDH1DPYDCCNT1
SCHEMBL27680529 0.87 GPR84 (0.50) GPR84IMPDH2IMPDH1IDO1DPYD
SCHEMBL187814 0.85 IMPDH2 (0.50) GPR84IMPDH2IMPDH1IDO1CCNT1
SCHEMBL6184223 0.84 HTR1A (0.47) KDM4E
SCHEMBL5414238 0.80 GPR84 (0.47) GPR84IMPDH2IMPDH1IDO1CCNT1
SCHEMBL5357578 0.77 ROCK2 (0.43) KDM4E
SCHEMBL4992479 0.77 CCNT1 (0.52) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL6184634 0.76 IMPDH2 (0.56) IMPDH2
SCHEMBL4765036 0.76 KDM4E (0.47) IMPDH2IMPDH1KDM4E
SCHEMBL5323698 0.75 GABRA1 (0.44) GPR84IMPDH2IMPDH1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 WO disclosed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 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-20070287699-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 GPR84 2952/4885IMPDH2 122/4885IMPDH1 70/4885

“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.