SCHEMBL3965566

SCHEMBL3965566

COCCOc1ccc2c(OC(C)C)nc(Nc3cc(C)[nH]n3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.54
RET P07949 3/20 0.42
FGFR2 P21802 1/20 0.41
AURKA O14965 6/20 0.39
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
AURKB Q96GD4 2/20 0.39
RAB29 O14966 1/20 0.39
FYN P06241 1/20 0.39
YES1 P07947 1/20 0.39
LYN P07948 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
CYP2D6 P10635 3/20 0.38
PIK3C3 Q8NEB9 3/20 0.38
GSK3B P49841 1/20 0.37
JAK2 O60674 2/20 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
SCHEMBL3967609 0.87 AURKA (0.47) SYKRETAURKAAURKBSRC
SCHEMBL3972656 0.86 SYK (0.55) SYKRETFGFR2AURKACYP3A4
SCHEMBL3974331 0.86 SYK (0.42) SYKRETAURKACYP3A4CYP1A2
SCHEMBL3964529 0.84 SYK (0.43) SYKRETAURKACYP3A4CYP1A2
SCHEMBL3967809 0.83 SYK (0.41) SYKRETAURKACYP3A4CYP1A2
SCHEMBL3965008 0.83 SYK (0.41) SYKRETAURKACYP3A4CYP1A2
SCHEMBL3969347 0.83 AURKA (0.60) SYKRETAURKAPIK3C3JAK2
SCHEMBL14520870 0.80 AURKA (0.40) SYKRETAURKAAURKBSRC
SCHEMBL3967069 0.80 SYK (0.47) SYKRETAURKACYP3A4CYP1A2
SCHEMBL3971009 0.80 NTRK1 (0.40) SYKRETAURKAAURKBSRC

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 12 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 claimed
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 claimed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US claimed
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 claimed
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 2491/4885FGFR2 4118/4885

“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.