SCHEMBL3459910

SCHEMBL3459910

COc1ccc(C(=O)NCc2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCCNC4)n3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.50
PKN2 Q16513 1/20 0.50
TYRO3 Q06418 7/20 0.49
WDR5 P61964 1/20 0.49
CHRM3 P20309 1/20 0.48
CHEK2 O96017 2/20 0.46
MET P08581 2/20 0.46
ROCK1 Q13464 1/20 0.45
ACVR1 Q04771 1/20 0.44
PIK3CD O00329 1/20 0.44
PRKDC P78527 1/20 0.44
ATR Q13535 1/20 0.44
ACVR2A P27037 1/20 0.44
TGFBR2 P37173 1/20 0.44
AXL P30530 1/20 0.43
MERTK Q12866 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
SCHEMBL14237240 0.93 TYRO3 (0.50) ROCK2PKN2TYRO3CHEK2MET
SCHEMBL3462011 0.93 TYRO3 (0.50) ROCK2PKN2TYRO3CHEK2MET
SCHEMBL3460422 0.93 TYRO3 (0.53) ROCK2PKN2TYRO3WDR5CHRM3
SCHEMBL3460676 0.91 ATR (0.50) ROCK2PKN2TYRO3ACVR1ATR
SCHEMBL3461892 0.91 TYRO3 (0.51) ROCK2PKN2TYRO3CHRM3CHEK2
SCHEMBL3460302 0.91 ATR (0.48) ROCK2PKN2TYRO3PRKDCATR
SCHEMBL3461490 0.90 TYRO3 (0.50) ROCK2PKN2TYRO3ROCK1ACVR1
SCHEMBL3461431 0.90 TYRO3 (0.48) ROCK2PKN2TYRO3CHEK2MET
SCHEMBL3462144 0.90 TYRO3 (0.48) ROCK2PKN2TYRO3ACVR1ATR
SCHEMBL3462278 0.90 TYRO3 (0.48) ROCK2PKN2TYRO3CHRM3CHEK2

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-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 ROCK2 739/4885PKN2 162/4885TYRO3 790/4885

“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.