SCHEMBL578802

SCHEMBL578802

CN1CCC(N(C)C(=O)c2ccc(Nc3ncc(C(F)(F)F)c(NC4CCCC4N)n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.61
KIT P10721 4/20 0.61
AURKA O14965 1/20 0.61
EGFR P00533 1/20 0.61
NTRK1 P04629 1/20 0.61
CDK1 P06493 1/20 0.61
IGF1R P08069 1/20 0.61
EPHA1 P21709 1/20 0.61
CDK2 P24941 1/20 0.61
BMX P51813 1/20 0.61
JAK3 P52333 1/20 0.61
CDK6 Q00534 1/20 0.61
PAK1 Q13153 1/20 0.61
ALK Q9UM73 1/20 0.61
PTK2 Q05397 11/20 0.60
PTK2B Q14289 8/20 0.57
CHEK1 O14757 1/20 0.56
SYK P43405 2/20 0.54
KCNH2 Q12809 1/20 0.52

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
SCHEMBL578803 1.00 FLT3 (0.61) FLT3KITAURKAEGFRNTRK1
SCHEMBL4283914 0.98 FLT3 (0.61) FLT3KITAURKAEGFRNTRK1
SCHEMBL4283916 0.98 FLT3 (0.61) FLT3KITAURKAEGFRNTRK1
SCHEMBL12234973 0.91 PTK2 (0.61) FLT3KITAURKAEGFRNTRK1
SCHEMBL13808205 0.91 PTK2 (0.59) FLT3KITAURKAEGFRNTRK1
SCHEMBL13808182 0.90 PTK2 (0.58) FLT3KITAURKAEGFRNTRK1
SCHEMBL13808282 0.90 PTK2 (0.58) FLT3KITAURKAEGFRNTRK1
SCHEMBL578718 0.90 PTK2 (0.60) FLT3KITAURKAEGFRNTRK1
SCHEMBL579107 0.90 PTK2 (0.60) FLT3KITAURKAEGFRNTRK1
SCHEMBL13808211 0.89 PTK2 (0.57) FLT3KITAURKAEGFRNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
EP-2027107-B1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 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-20090163467-A1 New compounds CCNA1, MKI67, CCNT1 FLT3 869/4885KIT 145/4885AURKA 2076/4885

“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.