SCHEMBL3970872

SCHEMBL3970872

COc1ccc2c(OCCN3CCCCC3)nc(Nc3cc(C)[nH]n3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.48
AURKA O14965 5/20 0.46
AURKB Q96GD4 1/20 0.41
FLT3 P36888 1/20 0.41
EGFR P00533 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
RET P07949 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
SCHEMBL3964119 0.91 AURKA (0.54) IGF1RAURKAFLT3RET
SCHEMBL3970136 0.87 IGF1R (0.51) IGF1RAURKAAURKBHRH3
SCHEMBL3972218 0.83 AURKA (0.45) IGF1RAURKAAURKBEGFRRET
SCHEMBL3964214 0.82 AURKA (0.44) AURKAAURKBRET
SCHEMBL3965472 0.81 AURKA (0.52) AURKAAURKBEGFRRET
SCHEMBL3971532 0.79 AURKA (0.45) AURKAAURKBRET
SCHEMBL3967562 0.78 IGF1R (0.45) IGF1RAURKAAURKBFLT3EGFR
SCHEMBL3969347 0.78 AURKA (0.60) IGF1RAURKARET
SCHEMBL3967881 0.78 AURKA (0.44) AURKAAURKBEGFRRET
SCHEMBL3971367 0.78 AURKA (0.51) IGF1RAURKAAURKBFLT3RET

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 13 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
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 IGF1R 3410/4885AURKA 1165/4885AURKB 1334/4885

“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.