SCHEMBL4913291

SCHEMBL4913291

c1cc2c(ncc3c[nH]nc32)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.41
AURKA O14965 2/20 0.41
DAPK3 O43293 2/20 0.41
JAK2 O60674 2/20 0.41
ABL1 P00519 2/20 0.41
NTRK1 P04629 2/20 0.41
CSF1R P07333 2/20 0.41
RET P07949 2/20 0.41
IGF1R P08069 2/20 0.41
PDGFRB P09619 2/20 0.41
PIM1 P11309 2/20 0.41
FGFR1 P11362 2/20 0.41
PRKACA P17612 2/20 0.41
KDR P35968 2/20 0.41
MAP2K2 P36507 2/20 0.41
FLT3 P36888 2/20 0.41
MAPK8 P45983 2/20 0.41
CSNK1A1 P48729 2/20 0.41
CDK8 P49336 2/20 0.41
GSK3A P49840 2/20 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
SCHEMBL739603 0.69
SCHEMBL3803974 0.68 KDM4E (0.52) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL30951595 0.68 KDM4E (0.52) PDGFRBCYP1A2
SCHEMBL1727666 0.68 KDM4E (0.52) PDGFRBCYP1A2
SCHEMBL4913293 0.67 DYRK1A (0.38) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL27687017 0.66 HTT (0.51) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL16114858 0.66 EGFR (0.37) PIM1CDK8CDK5DYRK1AALDH1A1
SCHEMBL27706146 0.63 DYRK1A (0.46) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL1566437 0.61 ALDH1A1 (0.45) ABL1ALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL1567515 0.61 MEN1 (0.36) CHEK1AURKADAPK3JAK2ABL1

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-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 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-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 CHEK1 1992/4885AURKA 1075/4885DAPK3 2370/4885

“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.