SCHEMBL4288959

SCHEMBL4288959

C[C@H](CO)NC(=O)C1CCCC1Nc1nc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 13/20 0.56
PTK2B Q14289 10/20 0.51
FLT3 P36888 3/20 0.49
AURKA O14965 1/20 0.49
EGFR P00533 1/20 0.49
NTRK1 P04629 1/20 0.49
CDK1 P06493 1/20 0.49
IGF1R P08069 1/20 0.49
KIT P10721 1/20 0.49
EPHA1 P21709 1/20 0.49
CDK2 P24941 1/20 0.49
BMX P51813 1/20 0.49
JAK3 P52333 1/20 0.49
CDK6 Q00534 1/20 0.49
PAK1 Q13153 1/20 0.49
ALK Q9UM73 1/20 0.49
KCNH2 Q12809 1/20 0.47
SYK P43405 2/20 0.46
CHEK1 O14757 1/20 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
SCHEMBL578786 1.00 PTK2 (0.56) PTK2PTK2BFLT3AURKAEGFR
SCHEMBL4288963 1.00 PTK2 (0.56) PTK2PTK2BFLT3AURKAEGFR
SCHEMBL578714 0.94 PTK2 (0.57) PTK2PTK2BFLT3AURKAEGFR
SCHEMBL12174633 0.94 PTK2 (0.57) PTK2PTK2BFLT3AURKAEGFR
SCHEMBL578672 0.94 PTK2 (0.57) PTK2PTK2BFLT3AURKAEGFR
SCHEMBL578671 0.94 PTK2 (0.57) PTK2PTK2BFLT3AURKAEGFR
SCHEMBL13808220 0.93 PTK2 (0.55) PTK2PTK2BFLT3AURKAEGFR
SCHEMBL578919 0.91 PTK2 (0.55) PTK2PTK2BFLT3AURKAEGFR
SCHEMBL578614 0.91 PTK2 (0.55) PTK2PTK2BFLT3AURKAEGFR
SCHEMBL4280145 0.91 PTK2 (0.54) PTK2PTK2BFLT3AURKAEGFR

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-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US 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 PTK2 1550/4885PTK2B 2309/4885FLT3 869/4885

“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.