SCHEMBL31673271

SCHEMBL31673271

Cc1nc(C#Cc2cccnc2)co1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.59
CYP2D6 P10635 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2A6 P11509 5/20 0.47
KCNH2 Q12809 1/20 0.45
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2B6 P20813 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL4153396 1.00 GRM5 (0.59) GRM5CYP2D6CYP1A2CYP2A6KCNH2
SCHEMBL3796332 0.75 CYP2A6 (0.67) GRM5CYP2D6CYP1A2CYP2A6CHRNB2
SCHEMBL4712602 0.74 GRM5 (1.00) GRM5CYP2D6CYP1A2KCNH2CYP2C9
SCHEMBL31673255 0.74 GRM5 (1.00) GRM5CYP2D6CYP1A2KCNH2CYP2C9
SCHEMBL4158243 0.74 GRM5 (0.57) GRM5
SCHEMBL30273059 0.73 GRM5 (1.00) GRM5CYP2D6CYP1A2
SCHEMBL187254 0.73 GRM5 (1.00) GRM5CYP2D6CYP1A2
SCHEMBL31673197 0.72 GRM5 (0.57) GRM5CYP1A2KCNH2
Hydrochloric Acid SCHEMBL1803964 0.72 GRM5 (0.97) GRM5CYP2D6CYP1A2
SCHEMBL13907278 0.71 CYP2A6 (0.62) GRM5CYP2D6CYP1A2CYP2A6CHRNB2

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-20250257076-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AS cGAS INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2025-08-14 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-20250257076-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AS cGAS INHIBITORS CGAS, SSB, FPGS GRM5 2394/4885CYP2D6 3422/4885CYP1A2 1473/4885

“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.