SCHEMBL3967591

SCHEMBL3967591

COc1cc2c(OC(C)C)nc(Nc3cc(C)[nH]n3)cc2cc1OCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.47
IGF1R P08069 3/20 0.44
NSD2 O96028 2/20 0.44
PDGFRB P09619 1/20 0.42
KDR P35968 2/20 0.41
EPHA2 P29317 1/20 0.41
EPHB4 P54760 1/20 0.41
SRC P12931 6/20 0.41
CARM1 Q86X55 1/20 0.40
RET P07949 1/20 0.40
JAK3 P52333 2/20 0.40
JAK2 O60674 1/20 0.40
SYK P43405 1/20 0.40
EGFR P00533 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 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
SCHEMBL3969281 1.00 AURKA (0.47) AURKAIGF1RNSD2PDGFRBKDR
SCHEMBL3967562 0.92 IGF1R (0.45) AURKAIGF1RNSD2PDGFRBKDR
SCHEMBL3969347 0.85 AURKA (0.60) AURKAIGF1RRETJAK3JAK2
SCHEMBL3965008 0.84 SYK (0.41) AURKANSD2KDRSRCRET
SCHEMBL3967809 0.84 SYK (0.41) AURKANSD2KDRSRCRET
SCHEMBL3961631 0.83 AURKA (0.40) AURKAIGF1RPDGFRBKDREPHB4
SCHEMBL3974331 0.81 SYK (0.42) AURKAIGF1RKDRRETJAK3
SCHEMBL3972268 0.80 JAK3 (0.37) AURKAJAK3JAK2SYKEGFR
SCHEMBL3964529 0.80 SYK (0.43) AURKAKDRRETJAK3JAK2
SCHEMBL3963949 0.79 LRRK2 (0.45) AURKAJAK2

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 11 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
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US 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
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 AURKA 1165/4885IGF1R 3410/4885NSD2 2229/4885

“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.