SCHEMBL25935552

SCHEMBL25935552

CC(=O)Nc1ccc(-c2cncc(NCC3=CCCC=C3)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 7/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ ABL1 P00519 3/20 0.39
▸ BCR P11274 3/20 0.39
▸ MKNK1 Q9BUB5 3/20 0.39
▸ MKNK2 Q9HBH9 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP11B2 P19099 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ PTK2 Q05397 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
SCHEMBL25935625 0.86 INPPL1 (0.39) GSK3BCYP11B2KCNH2TDO2
SCHEMBL24137837 0.79 BRAF (0.53) PIK3C3CYP11B2PIK3CDPIK3CGKCNH2
SCHEMBL25935700 0.76 PIK3C3 (0.37) PIK3C3GSK3B
SCHEMBL25934943 0.74 MAP4K4 (0.33) CYP11B2
SCHEMBL25938463 0.73 BRAF (0.45) PIK3C3DYRK1ACYP11B2
SCHEMBL17316881 0.70 PIK3CG (0.53) PIK3C3GSK3BDYRK1AABL1PIK3CD
SCHEMBL22975368 0.67 PTK2 (0.56) ABL1PIK3CDPIK3CGTDO2PTK2
SCHEMBL24137483 0.64 EGFR (0.54) PIK3CDPIK3CGPTK2
SCHEMBL24137788 0.63 KCNH2 (0.52) CYP3A4CYP11B2KCNH2
SCHEMBL30596229 0.63 KCNH2 (0.52) CYP3A4CYP11B2KCNH2

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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 — — 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 PIK3C3 514/4885GSK3B 267/4885DYRK1A 495/4885

“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.

Send feedback