SCHEMBL3580189

SCHEMBL3580189

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2ccc(N3CCN(C)C3=O)cc2)ncc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 10/20 0.48
PTK2B Q14289 7/20 0.48
KCNH2 Q12809 1/20 0.46
ULK1 O75385 3/20 0.46
SYK P43405 1/20 0.44
FLT3 P36888 6/20 0.43
KIT P10721 5/20 0.43
ULK2 Q8IYT8 1/20 0.43
CHEK1 O14757 1/20 0.42

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
SCHEMBL12235598 0.85 ULK1 (0.60) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL15328911 0.85 ULK1 (0.60) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL14616066 0.85 ULK1 (0.60) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL3572092 0.83 FGFR1 (0.59) PTK2PTK2BKCNH2ULK1SYK
SCHEMBL13313544 0.83 SYK (0.49) PTK2PTK2BKCNH2ULK1SYK
SCHEMBL5576857 0.83 ULK1 (0.56) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL3566464 0.83 PTK2 (0.55) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL2526061 0.83 PTK2 (0.57) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL5575713 0.83 KIT (0.62) PTK2PTK2BKCNH2ULK1SYK
SCHEMBL5575711 0.83 KIT (0.62) PTK2PTK2BKCNH2ULK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109605-B1 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2013-02-20 EP disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
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.