SCHEMBL3315946

SCHEMBL3315946

COc1cc(N2CCN(C(C)(C)CO)CC2)ccc1Nc1ncc(C)c(-c2cnc3ccccn23)n1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.75
CDK2 P24941 7/20 0.75
KCNH2 Q12809 10/20 0.66
INSR P06213 1/20 0.63

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
SCHEMBL3311496 0.92 IGF1R (0.75) IGF1RCDK2KCNH2INSR
SCHEMBL3311599 0.91 IGF1R (0.64) IGF1RCDK2KCNH2INSR
SCHEMBL3316588 0.88 IGF1R (0.64) IGF1RCDK2KCNH2INSR
SCHEMBL3311959 0.88 IGF1R (0.75) IGF1RCDK2KCNH2INSR
SCHEMBL3313615 0.88 IGF1R (0.84) IGF1RCDK2KCNH2INSR
SCHEMBL3318390 0.87 IGF1R (0.76) IGF1RCDK2KCNH2INSR
SCHEMBL3312222 0.87 IGF1R (0.76) IGF1RCDK2KCNH2INSR
SCHEMBL3316222 0.85 IGF1R (1.00) IGF1RCDK2KCNH2INSR
SCHEMBL3315070 0.85 IGF1R (0.73) IGF1RCDK2KCNH2INSR
SCHEMBL3313630 0.85 IGF1R (0.73) IGF1RCDK2KCNH2INSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910316-B1 SUBSTITUTED TRIAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ 3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-11-10 EP claimed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO claimed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US claimed
EP-1910316-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ 3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-16 EP claimed
US-7268154-B2 Substituted triazole compounds HOFFMAN-LA ROCHE INC. (US) 2007-09-11 US claimed
WO-2007012579-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ 3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 WO claimed
US-20070021475-A1 Substituted triazole derivatives HOFFMANN-LA ROCHE INC. 2007-01-25 US claimed
EP-1910316-B1 SUBSTITUTED TRIAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ 3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-11-10 EP disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
EP-1910316-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ 3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-16 EP disclosed
US-7268154-B2 Substituted triazole compounds HOFFMAN-LA ROCHE INC. (US) 2007-09-11 US disclosed
WO-2007012579-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ 3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 WO disclosed
US-20070021475-A1 Substituted triazole derivatives HOFFMANN-LA ROCHE INC. 2007-01-25 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 (2 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-20070021475-A1 Substituted triazole derivatives GPR3, GRIN3A, GRIK3 IGF1R 1127/4885CDK2 2203/4885KCNH2 205/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS IGF1R 4384/4885CDK2 64/4885KCNH2 3082/4885

“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.