SCHEMBL12236304

SCHEMBL12236304

CN1CCN(C(=O)c2ccc(Nc3ncc(C(F)(F)F)c(N[C@@H]4CCC[C@@H]4C(=O)NC4CC4)n3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 0.60
PTK2B Q14289 4/20 0.60
FLT3 P36888 8/20 0.51
KIT P10721 7/20 0.51
ULK1 O75385 1/20 0.51
AURKA O14965 1/20 0.50
EGFR P00533 1/20 0.50
NTRK1 P04629 1/20 0.50
CDK1 P06493 1/20 0.50
IGF1R P08069 1/20 0.50
EPHA1 P21709 1/20 0.50
CDK2 P24941 1/20 0.50
BMX P51813 1/20 0.50
JAK3 P52333 1/20 0.50
CDK6 Q00534 1/20 0.50
PAK1 Q13153 1/20 0.50
ALK Q9UM73 1/20 0.50
TBK1 Q9UHD2 1/20 0.49
BRD4 O60885 3/20 0.48
KDR P35968 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
SCHEMBL12234956 0.92 PTK2 (0.54) PTK2PTK2BFLT3KITULK1
SCHEMBL12234905 0.92 PTK2 (0.57) PTK2PTK2BFLT3KITAURKA
SCHEMBL4189858 0.91 PTK2 (0.53) PTK2PTK2BFLT3KITULK1
SCHEMBL578551 0.91 PTK2 (0.69) PTK2PTK2BFLT3KITULK1
SCHEMBL12235658 0.91 PTK2 (0.53) PTK2PTK2BFLT3KITULK1
SCHEMBL5576448 0.91 PTK2 (0.53) PTK2PTK2BFLT3KITULK1
SCHEMBL578552 0.91 PTK2 (0.69) PTK2PTK2BFLT3KITULK1
SCHEMBL12235647 0.90 PTK2 (0.55) PTK2PTK2BFLT3KITULK1
SCHEMBL12234947 0.90 FLT3 (0.51) PTK2PTK2BFLT3KITULK1
SCHEMBL12234983 0.90 PTK2 (0.57) PTK2PTK2BFLT3KITAURKA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
US-20110251174-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 US disclosed
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 US disclosed
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 US disclosed
WO-2007003596-A1 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO 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 (3 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-20110251174-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB PTK2 835/4885PTK2B 390/4885FLT3 102/4885
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors AURKA, AURKC, AURKB PTK2 835/4885PTK2B 390/4885FLT3 102/4885
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB PTK2 835/4885PTK2B 390/4885FLT3 102/4885

“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.