SCHEMBL1069403

SCHEMBL1069403

Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3cn[nH]c3n2)c(OC(C)C)cc1C1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 1.00
▸ INSR P06213 8/20 1.00
▸ NPM1 P06748 7/20 1.00
▸ KCNH2 Q12809 3/20 0.84
▸ CYP3A4 P08684 2/20 0.84
▸ PLK4 O00444 1/20 0.74
▸ BUB1B O60566 1/20 0.74
▸ JAK2 O60674 1/20 0.74
▸ ROCK2 O75116 1/20 0.74
▸ ABL1 P00519 1/20 0.74
▸ EGFR P00533 1/20 0.74
▸ NTRK1 P04629 1/20 0.74
▸ LCK P06239 1/20 0.74
▸ FES P07332 1/20 0.74
▸ LYN P07948 1/20 0.74
▸ RET P07949 1/20 0.74
▸ IGF1R P08069 1/20 0.74
▸ ABCB1 P08183 1/20 0.74
▸ MET P08581 1/20 0.74
▸ ROS1 P08922 1/20 0.74

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
SCHEMBL4059151 0.93 ALK (0.88) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL12388844 0.92 ALK (0.84) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL29537500 0.91 ALK (1.00) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL14478221 0.91 ALK (0.84) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL1545609 0.91 ALK (1.00) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL1545856 0.91 ALK (0.83) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL1545885 0.89 ALK (0.86) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL1545740 0.88 ALK (0.78) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL1546055 0.88 ALK (0.85) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL1545657 0.88 ALK (1.00) ALKINSRNPM1KCNH2CYP3A4

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3012249-A1 COMPOUNDS AND COMPOSITION AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2016-04-27 — — EP claimed
EP-2311807-B1 Compounds and composition as protein kinase inhibitors NOVARTIS AG (CH) 2015-11-11 — — EP claimed
EP-2311807-A1 Compounds and composition as protein kinase inhibitors IRM LLC (BM) 2011-04-20 — — EP claimed
WO-2009032703-A1 2- (HET) ARYLAMINO-6-AMINOPYRIDINE DERIVATIVES AND FUSED FORMS THEREOF AS ANAPLASTIC LYMPHOMA KINASE INHIBITORS IRM LLC (BM) 2009-03-12 — — WO claimed
US-20160361314-A1 COMBINATION OF AN ALK INHIBITOR AND A CDK INHIBITOR FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2016-12-15 — — US disclosed
US-20160361314-A1 COMBINATION OF AN ALK INHIBITOR AND A CDK INHIBITOR FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2016-12-15 — — US disclosed
EP-3012249-A1 COMPOUNDS AND COMPOSITION AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2016-04-27 — — EP disclosed
EP-3012249-A1 COMPOUNDS AND COMPOSITION AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2016-04-27 — — EP disclosed
EP-2271630-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2016-03-23 — — EP disclosed
EP-2311807-B1 Compounds and composition as protein kinase inhibitors NOVARTIS AG (CH) 2015-11-11 — — EP disclosed
EP-2311807-B1 Compounds and composition as protein kinase inhibitors NOVARTIS AG (CH) 2015-11-11 — — EP disclosed
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-04-16 — — US disclosed
WO-2009126515-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-10-15 — — WO disclosed
WO-2009032694-A1 AMINO SUBSTITUTED PYRIMIDINE, PYROLLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AND IN TREATING PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS DANA FARBER CANCER INSTITUTE (US) 2009-03-12 — — WO disclosed
WO-2009032703-A1 2- (HET) ARYLAMINO-6-AMINOPYRIDINE DERIVATIVES AND FUSED FORMS THEREOF AS ANAPLASTIC LYMPHOMA KINASE INHIBITORS IRM LLC (BM) 2009-03-12 — — WO disclosed
WO-2009032703-A1 2- (HET) ARYLAMINO-6-AMINOPYRIDINE DERIVATIVES AND FUSED FORMS THEREOF AS ANAPLASTIC LYMPHOMA KINASE INHIBITORS IRM LLC (BM) 2009-03-12 — — WO disclosed
US-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-07-24 — — US disclosed
US-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-07-24 — — US disclosed
US-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-07-24 — — US disclosed
WO-2008073687-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-06-19 — — 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 (3 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-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 ALK 23/4885INSR 67/4885NPM1 2242/4885
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 ALK 23/4885INSR 67/4885NPM1 2242/4885
US-20160361314-A1 COMBINATION OF AN ALK INHIBITOR AND A CDK INHIBITOR FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES CDK4, CDK3, CDKL1 ALK 4/4885INSR 1596/4885NPM1 662/4885

“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.

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