SCHEMBL25252432

SCHEMBL25252432

COc1cnccc1-c1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.48
RPS6KA3 P51812 2/20 0.48
CHEK1 O14757 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
ABL1 P00519 1/20 0.48
RET P07949 1/20 0.48
MET P08581 1/20 0.48
PIM1 P11309 1/20 0.48
MAP2K2 P36507 1/20 0.48
FLT3 P36888 1/20 0.48
MAPK8 P45983 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
LIMK1 P53667 1/20 0.48
TYRO3 Q06418 1/20 0.48
MAP4K2 Q12851 1/20 0.48
PRKAA1 Q13131 1/20 0.48
NTRK2 Q16620 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL19601141 0.85 TLR8 (0.49) AAK1MELKCYP1A2CYP3A4CYP2C19
SCHEMBL30626328 0.85 TLR8 (0.49) AAK1MELKCYP1A2CYP3A4CYP2C19
SCHEMBL21180021 0.84 RPS6KA3 (0.46) RPS6KA3ABL1AAK1MELKCYP1A2
SCHEMBL21180011 0.83 AAK1 (0.46) RPS6KA3ABL1AAK1FYNMELK
SCHEMBL27718711 0.82 GCGR (0.44) RPS6KA3GSK3BLIMK1AAK1MELK
SCHEMBL18985984 0.81 CYP11B1 (0.49) NTRK1ABL1AAK1MELKCYP1A2
SCHEMBL30522600 0.81 IMPDH2 (0.56) NTRK1AAK1CYP1A2CYP11B1CYP11B2
SCHEMBL25300597 0.81 IMPDH2 (0.56) NTRK1AAK1CYP1A2CYP11B1CYP11B2
SCHEMBL12934590 0.80 CYP1A2 (0.49) AAK1MELKCYP1A2CYP3A4CYP2D6
SCHEMBL2382250 0.80 NTRK1 (0.57) NTRK1RPS6KA3CHEK1DAPK3JAK2

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-20230227427-A1 IL-17A MODULATORS SANOFI (FR) 2023-07-20 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-20230227427-A1 IL-17A MODULATORS IL17A, IL2, IL15 NTRK1 4666/4885RPS6KA3 1439/4885CHEK1 4842/4885

“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.