SCHEMBL3572092

SCHEMBL3572092

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2ccc(N3CCC(N4CCCCCC4)CC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.59
SYK P43405 5/20 0.49
PLK1 P53350 1/20 0.48
PTK2 Q05397 9/20 0.48
PTK2B Q14289 5/20 0.48
KCNH2 Q12809 1/20 0.46
ULK1 O75385 1/20 0.46
EGFR P00533 2/20 0.44

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
SCHEMBL13313545 0.95 FGFR1 (0.59) FGFR1SYKPLK1PTK2PTK2B
SCHEMBL12234149 0.90 PTK2 (0.50) FGFR1PTK2PTK2BKCNH2ULK1
SCHEMBL13313544 0.89 SYK (0.49) FGFR1SYKPTK2PTK2BKCNH2
SCHEMBL12234940 0.86 PTK2 (0.51) PTK2PTK2BKCNH2ULK1EGFR
SCHEMBL12235598 0.84 ULK1 (0.60) PTK2PTK2BKCNH2ULK1EGFR
SCHEMBL15328911 0.84 ULK1 (0.60) PTK2PTK2BKCNH2ULK1EGFR
SCHEMBL14616066 0.84 ULK1 (0.60) PTK2PTK2BKCNH2ULK1EGFR
SCHEMBL3579714 0.84 PTK2 (0.51) PTK2PTK2BKCNH2ULK1
SCHEMBL4210144 0.83 FGFR1 (0.51) FGFR1SYKPLK1EGFR
SCHEMBL3580189 0.83 PTK2 (0.48) SYKPTK2PTK2BKCNH2ULK1

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 5 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
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 FGFR1 268/4885SYK 2935/4885PLK1 1178/4885

“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.