SCHEMBL4599427

SCHEMBL4599427

Cn1ncc2c1CN(C(=O)Nc1ccc(Cl)cn1)[C@H]2C(=O)Nc1ccc(N2CCOCC2=O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.49
KCNH2 Q12809 1/20 0.41
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL14097940 0.91 F10 (0.58) F10MTOR
SCHEMBL8241630 0.87 F10 (0.56) F10KCNH2JAK2JAK1TYK2
SCHEMBL14097944 0.84 F10 (0.48) F10MTOR
SCHEMBL14097938 0.83 F10 (0.66) F10KCNH2
SCHEMBL4598069 0.83 F10 (0.45) F10MTOR
SCHEMBL14097943 0.82 F10 (0.54) F10KCNH2
SCHEMBL8262273 0.80 F10 (0.61) F10KCNH2JAK2JAK1TYK2
SCHEMBL1027672 0.80 F10 (0.61) F10KCNH2JAK2JAK1TYK2
SCHEMBL12955997 0.80 F10 (0.61) F10KCNH2JAK2JAK1TYK2
SCHEMBL1030634 0.78 F10 (0.58) F10KCNH2JAK2JAK1TYK2

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 6 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
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
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 F10 4/4885KCNH2 1541/4885JAK2 838/4885

“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.