SCHEMBL29131430

SCHEMBL29131430

O=C(Nc1cncnc1)c1cc(Cl)c(Cl)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
CYP11B2 P19099 3/20 0.51
CYP11B1 P15538 1/20 0.51
MAPK7 Q13164 1/20 0.47
ABL1 P00519 1/20 0.46
BCAT2 O15382 1/20 0.45
PPARG P37231 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
KCNQ5 Q9NR82 2/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
GPR27 Q9NS67 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
KMT2A Q03164 2/20 0.41
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41

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
SCHEMBL30716415 0.86 GRM5 (0.48) GRM5CYP11B2CYP11B1MAPK7ABL1
SCHEMBL29131446 0.86 GRM5 (0.48) GRM5CYP11B2CYP11B1MAPK7ABL1
SCHEMBL30998138 0.82 CYP11B2 (0.77) CYP11B2CYP11B1NPC1KMT2AALDH1A1
SCHEMBL30716396 0.78 RIPK2 (0.48) GRM5CYP11B2CYP11B1PPARGNPC1
SCHEMBL29435928 0.78 CYP11B2 (0.42) GRM5CYP11B2CYP11B1PPARGNPC1
SCHEMBL22203184 0.78 CYP11B2 (0.42) GRM5CYP11B2CYP11B1PPARGNPC1
SCHEMBL10516505 0.75 JAK2 (0.70) GRM5CYP11B2NPC1RAB9AGPR27
Hydrochloric Acid SCHEMBL10680065 0.74 JAK2 (0.68) GRM5CYP11B2NPC1RAB9AGPR27
SCHEMBL10680062 0.73 JAK2 (0.51) GRM5CYP11B2MAPK7BCAT2GPR27
SCHEMBL29131424 0.72 ABL1 (0.54) ABL1

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-20260022100-A1 NAV1.8 INHIBITOR Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2026-01-22 US disclosed
EP-4545517-A1 NAV1.8 INHIBITOR Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2025-04-30 EP disclosed
CN-117263856-A Nav1.8 inhibitors 武汉人福创新药物研发中心有限公司 2023-12-22 CN 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-20260022100-A1 NAV1.8 INHIBITOR SCN8A, SCN1B, SCN1A GRM5 595/4885CYP11B2 675/4885CYP11B1 484/4885

“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.