SCHEMBL19399990

SCHEMBL19399990

Cn1c(=O)n(CC#N)c(=O)c2[nH]ccc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
ADORA2B P29275 5/20 0.49
ADORA2A P29274 5/20 0.49
PDE4A P27815 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
BRD4 O60885 4/20 0.44
PARG Q86W56 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
TAF1 P21675 1/20 0.38
BRPF1 P55201 1/20 0.38
CREBBP Q92793 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL613034 0.77 ADORA2A (0.46) CYP1A2ADORA2BADORA2APDE4APDE4B
SCHEMBL13384603 0.68 ATAD2 (0.41) CYP1A2ADORA2BADORA2APDE4APDE4B
SCHEMBL24559423 0.67 OPRM1 (0.38) CYP1A2ADORA2BADORA2ABRD4TAF1
SCHEMBL30275449 0.65 ADORA2A (0.43) CYP1A2ADORA2BADORA2APDE4APDE4B
SCHEMBL17737315 0.63 ADORA2B (1.00) CYP1A2ADORA2BADORA2APDE4APDE4B
SCHEMBL30275438 0.61 PDE4A (0.43) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL8317662 0.61 RXFP1 (0.45) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL15228294 0.61 ADORA2B (0.47) CYP1A2ADORA2BADORA2APDE4APDE4B
SCHEMBL30275447 0.60 PIK3CD (0.46) CYP1A2ADORA2BADORA2A
SCHEMBL30275441 0.60 ADORA3 (0.51) ADORA2BBRD4ADORA3

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-10221177-B2 Inhibiting the transient receptor potential A1 ion channel HYDRA BIOSCIENCES, INC. (US) 2019-03-05 US disclosed
US-20170275285-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2017-09-28 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 (2 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-10221177-B2 Inhibiting the transient receptor potential A1 ion channel TRPV1, TRPA1, TRPV2 CYP1A2 1655/4885ADORA2B 142/4885ADORA2A 159/4885
US-20170275285-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPV1, TRPA1, TRPV2 CYP1A2 1655/4885ADORA2B 142/4885ADORA2A 159/4885

“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.