SCHEMBL3579714

SCHEMBL3579714

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2ccc(CN3CCCC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 9/20 0.51
PTK2B Q14289 6/20 0.49
KCNH2 Q12809 1/20 0.48
ULK1 O75385 1/20 0.47
FLT3 P36888 9/20 0.46
TYRO3 Q06418 1/20 0.46
MERTK Q12866 1/20 0.46
GAS6 Q14393 1/20 0.46
KIT P10721 6/20 0.45
CHEK1 O14757 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
SCHEMBL13313531 0.94 SYK (0.49) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL13313533 0.94 SYK (0.50) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL3580112 0.91 FLT3 (0.48) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL3572323 0.89 PTK2 (0.54) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL3575774 0.88 PTK2 (0.53) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL3575772 0.88 PTK2 (0.53) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL12236299 0.87 PTK2 (0.51) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL12235237 0.86 PTK2 (0.55) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL13313539 0.86 PTK2 (0.51) PTK2PTK2BKCNH2ULK1FLT3
SCHEMBL14616066 0.86 ULK1 (0.60) PTK2PTK2BKCNH2ULK1FLT3

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 7 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
EP-2109605-A2 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 International GmbH (DE) 2009-10-21 EP disclosed
WO-2008077885-A2 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 INTERNATIONAL GMBH (DE) 2008-07-03 WO disclosed
WO-2008077885-A2 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 INTERNATIONAL GMBH (DE) 2008-07-03 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 (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.