SCHEMBL29437653

SCHEMBL29437653

Cn1ccnc1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)N3CCNC(CO)C3)CC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.42
GRM4 Q14833 6/20 0.41
PTK6 Q13882 6/20 0.39
CCR2 P41597 3/20 0.37
KCNH2 Q12809 3/20 0.37
NAMPT P43490 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CBLB Q13191 2/20 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
SCHEMBL30581371 0.90 GRM1 (0.46) GRM1GRM4PTK6NAMPTTP53
SCHEMBL30098796 0.86 GRM1 (0.47) GRM1GRM4PTK6CCR2KCNH2
SCHEMBL30581367 0.84 GRM1 (0.48) GRM1GRM4PTK6CCR2KCNH2
SCHEMBL29763550 0.83 GRM1 (0.52) GRM1GRM4PTK6NAMPTCBLB
SCHEMBL23692963 0.81 PTK6 (0.34) PTK6TP53MAPTSMN1; SMN2
SCHEMBL23693442 0.81 PTK6 (0.34) PTK6TP53MAPTSMN1; SMN2
SCHEMBL24707042 0.80 PTK6 (0.34) PTK6TP53MAPT
SCHEMBL23692714 0.80 PTK6 (0.34) PTK6TP53MAPT
SCHEMBL30098618 0.80 PTK6 (0.34) PTK6TP53MAPT
SCHEMBL29262439 0.80 GRM1 (0.46) GRM1GRM4CCR2KCNH2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US disclosed
EP-4208454-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES WITH ANTI-BACTERIAL PROPERTIES F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
WO-2022049011-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES WITH ANTI-BACTERIAL PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2022-03-10 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-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES CYP3A7, NISCH, ARG1 GRM1 4458/4885GRM4 4658/4885PTK6 1094/4885

“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.