SCHEMBL17147286

SCHEMBL17147286

Cn1ccc(NC(=O)c2cscn2)cc1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 9/20 0.52
CYP2C8 P10632 6/20 0.52
GRM1 Q13255 1/20 0.51
CYP2D6 P10635 1/20 0.48
CYP3A4 P08684 1/20 0.47
GRM4 Q14833 2/20 0.46
MAP3K5 Q99683 1/20 0.44
MAPK14 Q16539 1/20 0.43
ROCK2 O75116 1/20 0.43
PIM1 P11309 1/20 0.42
PARP1 P09874 1/20 0.41
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40

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
SCHEMBL15701030 0.80 GRM1 (0.47) CYP2C9CYP2C8GRM1CYP2D6CYP3A4
SCHEMBL19443341 0.77 GRM1 (0.45) CYP2C9CYP2C8GRM1CYP2D6CYP3A4
SCHEMBL19443383 0.77 GRM1 (0.45) CYP2C9CYP2C8GRM1CYP2D6CYP3A4
SCHEMBL15701019 0.77 CYP2C9 (0.47) CYP2C9CYP2C8GRM1CYP2D6CYP3A4
SCHEMBL15707569 0.77 CYP2C9 (0.56) CYP2C9CYP2C8GRM1CYP2D6CYP3A4
SCHEMBL15707360 0.76 CYP2C9 (0.56) CYP2C9CYP2C8GRM1CYP2D6CYP3A4
SCHEMBL15707399 0.75 CYP2C9 (0.49) CYP2C9CYP2C8GRM1CYP2D6CYP3A4
Benzene SCHEMBL27888677 0.73 GRM4 (0.52) GRM1GRM4MAP3K5
SCHEMBL15707235 0.73 JAK2 (0.53) CYP2C9CYP2C8GRM1GRM4ROCK2
SCHEMBL15070508 0.73 RAB9A (0.59) CYP2C9CYP2C8GRM1CYP3A4GRM4

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-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 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-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS CDKN1A, CCNA1, IFNAR1 CYP2C9 2373/4885CYP2C8 2028/4885GRM1 2624/4885

“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.