SCHEMBL15026348

SCHEMBL15026348

Cc1ccccc1Nc1ncc(F)c(Nc2ccccc2C)n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.76
LRRK2 Q5S007 1/20 0.61
CDK2 P24941 5/20 0.58
MAPK8 P45983 2/20 0.58
CDK5 Q00535 2/20 0.58
JAK2 O60674 2/20 0.58
AURKB Q96GD4 2/20 0.58
PLK4 O00444 1/20 0.58
PDPK1 O15530 1/20 0.58
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
NTRK1 P04629 1/20 0.58
INSR P06213 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
CDK1 P06493 1/20 0.58
FES P07332 1/20 0.58
CSF1R P07333 1/20 0.58
LYN P07948 1/20 0.58
IGF1R P08069 1/20 0.58

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
SCHEMBL655988 0.88 AURKA (0.65) AURKALRRK2CDK2MAPK8CDK5
SCHEMBL655986 0.82 AURKA (0.55) AURKALRRK2CDK2MAPK8CDK5
SCHEMBL656320 0.82 AURKA (0.58) AURKACDK2MAPK8CDK5JAK2
SCHEMBL655868 0.82 AURKA (0.58) AURKACDK2MAPK8CDK5JAK2
SCHEMBL12439807 0.81 IGF1R (0.68) AURKALRRK2CDK2MAPK8CDK5
SCHEMBL656813 0.81 AURKA (0.84) AURKACDK2MAPK8CDK5JAK2
SCHEMBL30033308 0.81 AURKA (0.60) AURKACDK2MAPK8CDK5JAK2
SCHEMBL655352 0.81 AURKA (0.77) AURKALRRK2CDK2MAPK8CDK5
SCHEMBL23409136 0.80 AURKA (0.67) AURKAJAK2LYNSYKJAK3
SCHEMBL653923 0.80 AURKA (0.58) AURKACDK2MAPK8CDK5JAK2

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-20130150349-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2013-06-13 US disclosed
US-20130150349-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2013-06-13 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-20130150349-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A AURKA 997/4885LRRK2 1165/4885CDK2 339/4885

“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.