SCHEMBL12235232

SCHEMBL12235232

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2ccc(C(=O)N3CCC(CC4CCN(C)CC4)CC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 11/20 0.49
PTK2B Q14289 3/20 0.48
FLT3 P36888 7/20 0.47
TBK1 Q9UHD2 1/20 0.46
CHEK1 O14757 2/20 0.44
KCNH2 Q12809 1/20 0.44
KIT P10721 3/20 0.43

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
SCHEMBL12235658 0.94 PTK2 (0.53) PTK2PTK2BFLT3TBK1CHEK1
SCHEMBL5576448 0.94 PTK2 (0.53) PTK2PTK2BFLT3TBK1CHEK1
SCHEMBL4189858 0.94 PTK2 (0.53) PTK2PTK2BFLT3TBK1CHEK1
SCHEMBL12235225 0.91 PTK2 (0.51) PTK2PTK2BFLT3TBK1KCNH2
SCHEMBL12234937 0.91 PTK2 (0.50) PTK2PTK2BFLT3TBK1CHEK1
SCHEMBL12236299 0.89 PTK2 (0.51) PTK2PTK2BFLT3KCNH2KIT
SCHEMBL12234174 0.89 PTK2 (0.53) PTK2PTK2BFLT3CHEK1KCNH2
SCHEMBL12235645 0.88 PTK2 (0.54) PTK2PTK2BFLT3CHEK1KCNH2
SCHEMBL12234938 0.88 PTK2 (0.52) PTK2PTK2BFLT3KCNH2KIT
SCHEMBL14621752 0.88 PTK2 (0.52) PTK2PTK2BFLT3KCNH2KIT

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.