SCHEMBL3585653

SCHEMBL3585653

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2ccc(N3CCC(N4CCNCC4)CC3)cc2)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.49
KDR P35968 2/20 0.48
AURKB Q96GD4 2/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
FGFR1 P11362 1/20 0.48
ALK Q9UM73 3/20 0.47
TNK2 Q07912 1/20 0.46
EGFR P00533 2/20 0.45
PTK2 Q05397 1/20 0.44
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
INSR P06213 2/20 0.43
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 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
SCHEMBL3571984 0.89 SYK (0.48) SYKKDRAURKBFGFR1ALK
SCHEMBL4210144 0.83 FGFR1 (0.51) SYKAURKBFGFR1TNK2EGFR
SCHEMBL3572092 0.83 FGFR1 (0.59) SYKFGFR1EGFRPTK2
SCHEMBL13313545 0.81 FGFR1 (0.59) SYKFGFR1EGFRPTK2JAK2
SCHEMBL13313538 0.81 SYK (0.47) SYKFGFR1TNK2JAK3CDK4
SCHEMBL4281514 0.80 AURKB (0.54) SYKKDRAURKBALKJAK2
SCHEMBL578664 0.80 AURKB (0.54) SYKKDRAURKBALKJAK2
SCHEMBL3770047 0.80 KDR (0.59) KDRAURKBJAK2JAK1JAK3
SCHEMBL3779618 0.80 KDR (0.59) KDRAURKBJAK2JAK1JAK3
SCHEMBL13313530 0.78 KDR (0.51) SYKKDRAURKBALKPTK2

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
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

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 SYK 2935/4885KDR 2478/4885AURKB 1956/4885

“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.