SCHEMBL3971234

SCHEMBL3971234

Cc1cc(Nc2cc3cc(CO)ccc3c(OC(C)C)n2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.49
RET P07949 2/20 0.42
PIK3C3 Q8NEB9 2/20 0.41
NTRK1 P04629 3/20 0.39
JAK2 O60674 3/20 0.39
JAK3 P52333 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
AURKA O14965 5/20 0.37
AURKB Q96GD4 2/20 0.37
PLK4 O00444 2/20 0.36
SRC P12931 1/20 0.36
GSK3B P49841 1/20 0.36
PAK4 O96013 1/20 0.36

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
SCHEMBL3967069 0.85 SYK (0.47) SYKRETPIK3C3NTRK1JAK2
SCHEMBL14520870 0.83 AURKA (0.40) SYKRETPIK3C3NTRK1JAK2
SCHEMBL3971009 0.83 NTRK1 (0.40) SYKRETPIK3C3NTRK1JAK2
SCHEMBL3968496 0.83 AURKA (0.44) SYKRETPIK3C3NTRK1AURKA
SCHEMBL3967609 0.82 AURKA (0.47) SYKRETPIK3C3JAK2JAK3
SCHEMBL3966876 0.82 AURKA (0.43) SYKRETAURKAAURKBSRC
SCHEMBL3965228 0.82 AURKA (0.49) JAK2JAK3JAK1TYK2AURKA
SCHEMBL3973249 0.80 RET (0.42) RETAURKAAURKB
SCHEMBL14520071 0.80 RET (0.44) SYKRETJAK2JAK3JAK1
SCHEMBL3964146 0.79 TTK (0.48) SYKRETPIK3C3AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-1966190-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
WO-2007071348-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 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 (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-20070179151-A1 Isoquinoline aminopyrazole derivatives CYP3A5, CYP3A43, CYP3A4 SYK 2789/4885RET 2491/4885PIK3C3 1087/4885

“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.