SCHEMBL1491777

SCHEMBL1491777

Cc1cnc(Cl)nc1Nc1ccccc1S(=O)(=O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 10/20 0.60
▸ CDK9 P50750 10/20 0.60
▸ ALK Q9UM73 10/20 0.54
▸ INSR P06213 6/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ ROS1 P08922 2/20 0.48
▸ AURKA O14965 1/20 0.48
▸ NTRK1 P04629 1/20 0.48
▸ IGF1R P08069 1/20 0.48
▸ CDK4 P11802 1/20 0.48
▸ EPHA1 P21709 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CDK3 Q00526 1/20 0.48
▸ CDK6 Q00534 1/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ MET P08581 1/20 0.48

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
SCHEMBL375643 0.89 ALK (0.67) CDK7CDK9ALKINSRROS1
SCHEMBL29666260 0.89 ALK (0.67) CDK7CDK9ALKINSRROS1
SCHEMBL18627483 0.87 CDK9 (0.62) CDK7CDK9ALKINSRKCNH2
SCHEMBL28449568 0.86 CDK7 (0.60) CDK7CDK9ALKROS1AURKA
SCHEMBL18843572 0.86 CDK7 (0.54) CDK7CDK9ALKROS1AURKA
SCHEMBL29214361 0.86 CDK7 (0.60) CDK7CDK9ALKROS1AURKA
SCHEMBL18843571 0.84 ALK (0.66) CDK7CDK9ALKINSRIGF1R
SCHEMBL25139977 0.83 ALK (0.51) CDK7CDK9ALKINSRROS1
SCHEMBL1491763 0.83 ALK (0.52) CDK7CDK9ALKINSRROS1
SCHEMBL30978775 0.82 CDK7 (0.66) CDK7CDK9ALKINSRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 — — US disclosed
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 — — US disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 — — EP disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
WO-2017041771-A1 PROCESS FOR THE PREPARATION OF CERITINIB USING \"IN SITU\" PREPARED 5-METHYL-2-(1 -METHYLETHOXY)-4-(4-PIPERIDINYL)-BENZENAMINE MONOHYDROCHLORIDE (1 :1 ) AS AN INTERMEDIATE ZENTIVA, K.S. (CZ) 2017-03-16 — — WO disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 — — US disclosed
WO-2016199020-A1 PROCESS FOR PREPARATION OF CERITINIB DR. REDDY'S LABORATORIES LIMITED (IN) 2016-12-15 — — WO 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
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 — — US disclosed
US-8039479-B2 Such as 6-{5-Chloro-4-[2-(propane-2-sulfonyl)-phenylamino]-pyrimidin-2-ylamino}-5-isopropoxy-2-piperidin-4-yl-2,3-dihydro-isoindol-1-one; tumors, cancer; inhibition of anaplastic lymphoma, focal adhesion, zeta chain associated protein 70 and/or insulin like growth factor IRM LLC (BM) 2011-10-18 — — US disclosed
US-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-04 — — US disclosed
US-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-04 — — US disclosed
US-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-04 — — US disclosed
EP-2311807-A1 Compounds and composition as protein kinase inhibitors IRM LLC (BM) 2011-04-20 — — EP disclosed
EP-2300013-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-03-30 — — EP disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 — — 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

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

For each of this compound's patents that has machine-readable text (6 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CDK7 104/4885CDK9 60/4885ALK 256/4885
US-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 CDK7 399/4885CDK9 431/4885ALK 23/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 CDK7 96/4885CDK9 59/4885ALK 265/4885
US-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 CDK7 399/4885CDK9 431/4885ALK 23/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CDK7 104/4885CDK9 60/4885ALK 256/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CDK7 104/4885CDK9 60/4885ALK 256/4885

“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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