SCHEMBL4598659

SCHEMBL4598659

Cn1ncc2c1CN(C(=O)OC(C)(C)C)C2C(=O)N(F)c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F10 P00742 4/20 0.32
GPR119 Q8TDV5 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ROCK2 O75116 1/20 0.30
SPR P35270 1/20 0.30

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
SCHEMBL3696448 0.84 MEN1 (0.36) SYKMEN1KMT2AF10GPR119
SCHEMBL4598652 0.79 F10 (0.49) F10
SCHEMBL4496276 0.76 UCHL1 (0.36) SYKMEN1KMT2AF10GPR119
SCHEMBL4599382 0.73 HDAC8 (0.35) SYKMEN1KMT2AF10
SCHEMBL4598458 0.73 F10 (0.35) SYKMEN1KMT2AF10
SCHEMBL4961892 0.73 UCHL1 (0.48) SYKF10GPR119
SCHEMBL30591259 0.72 ELANE (0.36) MEN1KMT2AGPR119SPR
SCHEMBL4598829 0.72 ELANE (0.36) MEN1KMT2AGPR119SPR
SCHEMBL30591210 0.72 ELANE (0.36) MEN1KMT2AGPR119SPR
SCHEMBL5108774 0.72 ELANE (0.36) MEN1KMT2AGPR119SPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417144-B2 e.g. 1-Methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,5-dicarboxylic acid 5-[(4-chloro-phenyl)-amide]4-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide}; anticoagulant, antiinflammatory agent; thrombosis, peripheral arterial occlusive disease, stroke, arteriosclerosis, bypass grafting HOFFMAN-LA ROCHE INC. (US) 2008-08-26 US disclosed
EP-1907388-A1 NOVEL HETEROARYL FUSED CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-04-09 EP disclosed
WO-2007009883-A1 NOVEL HETEROARYL FUSED CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-20070015812-A1 Factor Xa inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-01-18 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-20070015812-A1 Factor Xa inhibitors F12, F11, F2 SYK 1345/4885MEN1 268/4885KMT2A 2774/4885

“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.