SCHEMBL3566465

SCHEMBL3566465

CCCNC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2ccc(C=O)cc2)ncc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 9/20 0.57
PTK2B Q14289 6/20 0.53
KCNH2 Q12809 1/20 0.50
ULK1 O75385 3/20 0.49
KIT P10721 7/20 0.47
FLT3 P36888 6/20 0.47
AURKA O14965 2/20 0.45
NTRK1 P04629 2/20 0.45
CDK1 P06493 2/20 0.45
IGF1R P08069 2/20 0.45
CDK2 P24941 2/20 0.45
JAK3 P52333 2/20 0.45
ALK Q9UM73 2/20 0.45
ULK2 Q8IYT8 1/20 0.45
EGFR P00533 1/20 0.45
EPHA1 P21709 1/20 0.45
BMX P51813 1/20 0.45
CDK6 Q00534 1/20 0.45
PAK1 Q13153 1/20 0.45
CDC7 O00311 1/20 0.45

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
SCHEMBL3566464 0.87 PTK2 (0.55) PTK2PTK2BKCNH2ULK1KIT
SCHEMBL14694026 0.86 PTK2 (0.57) PTK2PTK2BKCNH2ULK1KIT
SCHEMBL3581703 0.81 GRM4 (0.43) PTK2PTK2BKCNH2ULK1KIT
SCHEMBL11915899 0.80 PTK2 (0.51) PTK2PTK2BKCNH2ULK1KIT
SCHEMBL13817416 0.80 PTK2 (0.54) PTK2PTK2BKCNH2ULK1KIT
SCHEMBL12234187 0.79 TBK1 (0.55) PTK2PTK2BKCNH2ULK1KIT
SCHEMBL12235647 0.79 PTK2 (0.55) PTK2PTK2BKCNH2ULK1KIT
SCHEMBL3572323 0.78 PTK2 (0.54) PTK2PTK2BKCNH2ULK1KIT
SCHEMBL3572574 0.78 TBK1 (0.50) PTK2AURKAIGF1RCDK2ALK
SCHEMBL15328911 0.78 ULK1 (0.60) PTK2PTK2BKCNH2ULK1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 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-20100144706-A1 Compounds MKI67, CCNA1, CCNT1 PTK2 1486/4885PTK2B 2938/4885KCNH2 3389/4885

“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.