SCHEMBL6285429

SCHEMBL6285429

Cn1c(C2CCN(C(=O)OCc3ccccc3)CC2)nc(-c2cccc(C(F)(F)F)c2)c1-n1ccccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 3/20 0.44
TRPC7 Q9HCX4 3/20 0.44
TRPV4 Q9HBA0 1/20 0.43
F2R P25116 1/20 0.42
CETP P11597 1/20 0.42
BTK Q06187 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C19 P33261 1/20 0.38
PTGES O14684 2/20 0.38
MAPK13 O15264 1/20 0.38
RAF1 P04049 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38

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
SCHEMBL5760979 0.81 MAPK14 (0.46) TRPC3TRPC7TRPV4F2RCETP
SCHEMBL8011517 0.81 MAPK14 (0.52) TRPC3TRPC7TRPV4F2RCETP
SCHEMBL4025102 0.81 MAPK14 (0.52) TRPC3TRPC7TRPV4F2RCETP
SCHEMBL6285426 0.81 MAPK13 (0.43) TRPC3TRPC7TRPV4F2RCETP
SCHEMBL6172327 0.79 MAPK14 (0.50) TRPC3TRPC7TRPV4F2RCETP
SCHEMBL6172304 0.78 MAPK14 (0.49) TRPC3TRPC7TRPV4F2RCETP
SCHEMBL4029113 0.78 TRPV4 (0.43) TRPC3TRPC7TRPV4F2RCETP
SCHEMBL6171325 0.78 MAPK13 (0.48) TRPC3TRPC7TRPV4F2RCETP
SCHEMBL6175245 0.77 MAPK13 (0.49) TRPC3TRPC7TRPV4F2RCETP
SCHEMBL4029885 0.76 MAPK14 (0.71) TRPV4MAPK13RAF1MAPK9MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852727-B2 Benzimisazo[4,5-f]isoquinolinone derivatives MERCK & CO., INC. (US) 2005-02-08 US disclosed
US-20040176601-A1 Benzimisazo[4,5-f]isoquinolinone derivatives MERCK SHARP & DOHME LLC 2004-09-09 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-20040176601-A1 Benzimisazo[4,5-f]isoquinolinone derivatives JAK1, JAK3, JAK2 TRPC3 3309/4885TRPC7 1996/4885TRPV4 813/4885

“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.