SCHEMBL29688262

SCHEMBL29688262

CC(=O)N1CCC(c2c[nH]c(-c3cc(-c4cnn(Cc5ccc(Cl)cc5)c4)ccn3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.42
PAK1 Q13153 1/20 0.39
HTT P42858 1/20 0.38
WNT3A P56704 2/20 0.36
KCNH2 Q12809 1/20 0.36
ZAP70 P43403 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
CREBBP Q92793 1/20 0.35
MAP3K12 Q12852 2/20 0.35
ALK Q9UM73 2/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL19065194 1.00 KDM5A (0.42) KDM5APAK1HTTWNT3AKCNH2
Trifluoroacetic Acid SCHEMBL31181694 0.95 KDM5A (0.41) KDM5APAK1HTTWNT3AZAP70
Trifluoroacetic Acid SCHEMBL19065586 0.95 KDM5A (0.41) KDM5APAK1HTTWNT3AZAP70
SCHEMBL19065357 0.86 CYP3A4 (0.38) KDM5AKCNH2ADORA2AADORA2BADORA1
SCHEMBL19117141 0.84 KCNH2 (0.36) KDM5AHTTKCNH2ADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL19065504 0.83 KDM5A (0.36) KDM5AHTTKCNH2ADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL29675562 0.83 KDM5A (0.36) KDM5AHTTKCNH2ADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL23087051 0.83 PRCP (0.37) KDM5AHTT
SCHEMBL29688308 0.82 MKNK1 (0.37) KDM5AKCNH2ALK
SCHEMBL19065447 0.82 MKNK1 (0.37) KDM5AKCNH2ALK

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-11952367-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2024-04-09 US disclosed
US-20220227736-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2022-07-21 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-20220227736-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB KDM5A 2501/4885PAK1 211/4885HTT 2012/4885
US-11952367-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB KDM5A 2501/4885PAK1 211/4885HTT 2012/4885

“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.