SCHEMBL26320910

SCHEMBL26320910

CN(c1ccc(F)cc1)c1cc2cn[nH]c2cc1C#CC1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.37
ATR Q13535 2/20 0.35
ATRIP Q8WXE1 2/20 0.35
GRIN2B Q13224 3/20 0.35
EGFR P00533 3/20 0.33
GRM5 P41594 2/20 0.33
MAP4K4 O95819 1/20 0.33
ERBB2 P04626 1/20 0.33
MAPK9 P45984 1/20 0.33
CSNK1D P48730 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
SLK Q9H2G2 1/20 0.33
DAPK3 O43293 1/20 0.31
DYRK3 O43781 1/20 0.31
ROCK2 O75116 1/20 0.31
CDK1 P06493 1/20 0.31
RPS6KB1 P23443 1/20 0.31
CDK2 P24941 1/20 0.31
MAPK1 P28482 1/20 0.31
AKT1 P31749 1/20 0.31

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
SCHEMBL29536029 0.78 CDC7 (0.41) CDC7GRM5ROCK2ROCK1
SCHEMBL21900948 0.78 CDC7 (0.41) CDC7GRM5ROCK2ROCK1
SCHEMBL21901248 0.75 GRM5 (0.37) CDC7GRM5MAPK1AKT1GSK3B
SCHEMBL21900957 0.74 PGK1 (0.38) CDC7DAPK3DYRK3ROCK2CDK1
SCHEMBL21856683 0.74 AXL (0.40) CDC7DAPK3DYRK3ROCK2CDK1
SCHEMBL29536009 0.71 MAOB (0.39) GRM5ROCK2MAPK1ROCK1
SCHEMBL22688255 0.71 MAOB (0.39) GRM5ROCK2MAPK1ROCK1
SCHEMBL21900955 0.70 PDGFRB (0.36) GRM5ROCK2ROCK1
SCHEMBL26321523 0.70 ALDH1A1 (0.38) CDC7DAPK3DYRK3ROCK2CDK1
SCHEMBL23887925 0.69 MKNK1 (0.37) EGFRROCK2ROCK1

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-20230279010-A1 PROCESSES FOR PREPARING MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-09-07 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-20230279010-A1 PROCESSES FOR PREPARING MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINE1 CDC7 4596/4885ATR 4468/4885ATRIP 2945/4885

“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.