SCHEMBL3677097

SCHEMBL3677097

Fc1ncccc1-c1ncnc2[nH]ncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
PTK2 Q05397 1/20 0.45
RET P07949 1/20 0.44
PI4KA P42356 1/20 0.44
XDH P47989 1/20 0.44
LRRK2 Q5S007 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
CSF1R P07333 2/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PDPK1 O15530 1/20 0.41
LMNA P02545 3/20 0.40

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
SCHEMBL29761000 0.79 RET (0.41) L3MBTL1PTK2RETPI4KAXDH
SCHEMBL3639239 0.78 JAK2 (0.54) PTK2RETLRRK2CHEK1AURKA
SCHEMBL14979831 0.75 BRAF (0.46) PIK3CAPIK3CBPIK3CG
SCHEMBL29616972 0.74 LRRK2 (0.46) PTK2RETPI4KAXDHLRRK2
SCHEMBL29761078 0.74 L3MBTL1 (0.52) L3MBTL1PTK2RETPI4KAXDH
SCHEMBL29761062 0.72 TRPA1 (0.47) L3MBTL1PTK2RETPI4KAXDH
SCHEMBL9912776 0.72 MTOR (0.39) PIK3CAPIK3CBPIK3CGMAPT
SCHEMBL29761065 0.71 LRRK2 (0.41) L3MBTL1PTK2RETPI4KAXDH
SCHEMBL19575560 0.70 RET (0.40) PTK2RETPI4KAXDHLRRK2
SCHEMBL3260282 0.70 BTK (0.47) PTK2RETPI4KAXDHLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2014-01-02 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 US disclosed
EP-2170887-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS Amgen Inc. (US) 2010-04-07 EP disclosed
WO-2008153947-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS AMGEN INC. (US) 2008-12-18 WO disclosed
WO-2008153947-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS AMGEN INC. (US) 2008-12-18 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 (2 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-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF L3MBTL1 1716/4885PTK2 210/4885RET 95/4885
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF L3MBTL1 1719/4885PTK2 203/4885RET 100/4885

“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.