SCHEMBL4051419

SCHEMBL4051419

COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 1.00
▸ TTK P33981 6/20 1.00
▸ INSR P06213 5/20 1.00
▸ GAK O14976 3/20 1.00
▸ IGF1R P08069 3/20 1.00
▸ LTK P29376 3/20 1.00
▸ PTK2 Q05397 3/20 1.00
▸ TNK2 Q07912 3/20 1.00
▸ TNK1 Q13470 3/20 1.00
▸ PTK2B Q14289 3/20 1.00
▸ INSRR P14616 2/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ CLK1 P49759 2/20 1.00
▸ FES P07332 3/20 0.64
▸ FLT3 P36888 3/20 0.64
▸ NPM1 P06748 3/20 0.58
▸ BMPR1B O00238 2/20 0.54
▸ PLK4 O00444 2/20 0.54
▸ ERN1 O75460 2/20 0.54
▸ STK10 O94804 2/20 0.54

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
SCHEMBL29446147 1.00 ALK (1.00) ALKTTKINSRGAKIGF1R
SCHEMBL29446184 1.00 ALK (1.00) ALKTTKINSRGAKIGF1R
SCHEMBL4058870 0.94 ALK (0.89) ALKTTKINSRGAKIGF1R
SCHEMBL4052384 0.93 ALK (0.87) ALKTTKINSRGAKIGF1R
SCHEMBL4046968 0.93 ALK (0.86) ALKTTKINSRGAKIGF1R
SCHEMBL4056762 0.92 ALK (0.85) ALKTTKINSRGAKIGF1R
SCHEMBL4051438 0.92 ALK (0.84) ALKTTKINSRGAKIGF1R
SCHEMBL4052796 0.91 ALK (0.83) ALKTTKINSRGAKIGF1R
SCHEMBL4050498 0.90 ALK (0.81) ALKTTKINSRGAKIGF1R
SCHEMBL4052581 0.89 ALK (0.80) ALKTTKINSRGAKIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-12054784-B2 Prognostic biomarkers for TTK inhibitor chemotherapy NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-06 — — US disclosed
EP-3283642-B1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RES CENTER HOLDING B V (NL) 2023-10-11 — — EP disclosed
EP-3283642-B1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RES CENTER HOLDING B V (NL) 2023-10-11 — — EP disclosed
CN-114592061-A Prognostic biomarkers for TTK inhibitor chemotherapy 荷兰转化研究中心有限责任公司 2022-06-07 — — CN disclosed
CN-107567503-B Prognostic biomarkers for TTK inhibitor chemotherapy 荷兰转化研究中心有限责任公司 2022-03-22 — — CN disclosed
US-20220056540-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2022-02-24 — — US disclosed
US-11208696-B2 Prognostic biomarkers for TTK inhibitor chemotherapy NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2021-12-28 — — US disclosed
US-11208696-B2 Prognostic biomarkers for TTK inhibitor chemotherapy NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2021-12-28 — — US disclosed
US-20210290624-A1 METHODS OF TREATING CANCERS CHARACTERIZED BY A HIGH EXPRESSION LEVEL OF SPINDLE AND KINETOCHORE ASSOCIATED COMPLEX SUBUNIT 3 (SKA3) GENE UNIVERSITY HEALTH NETWORK (CA) 2021-09-23 — — US disclosed
US-20190211401-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2019-07-11 — — US disclosed
US-20190211401-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2019-07-11 — — US disclosed
EP-3283642-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY Netherlands Translational Research Center B.V. (NL) 2018-02-21 — — EP disclosed
WO-2016166255-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2016-10-20 — — WO disclosed
WO-2016166255-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2016-10-20 — — 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-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

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

For each of this compound's patents that has machine-readable text (5 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-20210290624-A1 METHODS OF TREATING CANCERS CHARACTERIZED BY A HIGH EXPRESSION LEVEL OF SPINDLE AND KINETOCHORE ASSOCIATED COMPLEX SUBUNIT 3 (SKA3) GENE TTBK1, TSSK1B, BRCA1 ALK 3230/4885TTK 25/4885INSR 1155/4885
US-12054784-B2 Prognostic biomarkers for TTK inhibitor chemotherapy TTBK1, CTNNB1, TTK ALK 622/4885TTK 3/4885INSR 4523/4885
US-20220056540-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY TTBK1, CTNNB1, TTK ALK 622/4885TTK 3/4885INSR 4523/4885
US-20190211401-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY TTBK1, CTNNB1, TTK ALK 622/4885TTK 3/4885INSR 4523/4885
US-11208696-B2 Prognostic biomarkers for TTK inhibitor chemotherapy TTBK1, CTNNB1, TTK ALK 622/4885TTK 3/4885INSR 4523/4885

“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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