SCHEMBL3313052

SCHEMBL3313052

CNCC(=O)N1CCC(c2ccc(Nc3ncc(C)c(-c4cnn5ccccc45)n3)c(OC)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 16/20 0.67
EGFR P00533 3/20 0.57
CYP3A4 P08684 2/20 0.55
CDK2 P24941 3/20 0.55
KCNH2 Q12809 5/20 0.51
ALK Q9UM73 1/20 0.50

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
SCHEMBL2348737 0.94 IGF1R (0.62) IGF1REGFRCYP3A4CDK2KCNH2
SCHEMBL2347753 0.92 IGF1R (0.79) IGF1REGFRCYP3A4CDK2KCNH2
SCHEMBL2350163 0.91 IGF1R (0.65) IGF1REGFRCDK2KCNH2
SCHEMBL2352771 0.89 IGF1R (0.60) IGF1REGFRCYP3A4CDK2KCNH2
SCHEMBL2345514 0.89 IGF1R (0.60) IGF1REGFRCYP3A4CDK2KCNH2
SCHEMBL3314030 0.88 IGF1R (0.85) IGF1REGFRCYP3A4CDK2KCNH2
SCHEMBL2349062 0.86 IGF1R (0.66) IGF1REGFRCDK2KCNH2ALK
SCHEMBL13362113 0.86 IGF1R (0.57) IGF1REGFRCYP3A4CDK2KCNH2
SCHEMBL3313357 0.86 IGF1R (0.57) IGF1REGFRCDK2KCNH2ALK
SCHEMBL3345531 0.85 IGF1R (0.66) IGF1REGFRCDK2KCNH2ALK

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
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
US-9206183-B2 Substituted pyrazolo[1,5-a]pyridines as JAK inhibitors ALMIRALL, S.A. (ES) 2015-12-08 US disclosed
US-20150118186-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL SA (ES) 2015-04-30 US disclosed
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2014-03-27 US disclosed
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS BACH TANA JORDI (ES) 2013-08-15 US disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20150118186-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 IGF1R 1391/4885EGFR 1117/4885CYP3A4 350/4885
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 IGF1R 1560/4885EGFR 753/4885CYP3A4 326/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS IGF1R 4384/4885EGFR 2481/4885CYP3A4 49/4885
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 IGF1R 1560/4885EGFR 753/4885CYP3A4 326/4885

“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.