SCHEMBL581406

SCHEMBL581406

CCOC(=O)c1ccnc(C(N)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 6/20 0.57
PIK3CA P42336 1/20 0.54
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
JMJD7 P0C870 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL29466587 0.89 JMJD6 (0.57) JMJD6PIK3CACA12CA1CA2
SCHEMBL930636 0.89 JMJD6 (0.57) JMJD6PIK3CACA12CA1CA2
SCHEMBL8950955 0.88 MMP2 (0.48) JMJD6PIK3CAJMJD7LMNACYP1A2
SCHEMBL28528961 0.86 JMJD6 (0.55) JMJD6PIK3CACA12CA1CA2
SCHEMBL16578099 0.86 KDM4E (0.61) JMJD6PIK3CACA12CA1CA2
SCHEMBL6596814 0.85 JMJD6 (0.49) JMJD6PIK3CACA12CA1CA2
SCHEMBL6596817 0.85 JMJD6 (0.49) JMJD6PIK3CACA12CA1CA2
SCHEMBL28972534 0.84 NPC1 (0.52) JMJD6LMNACYP1A2CYP3A4NPC1
SCHEMBL13950719 0.82 KDM4E (0.57) JMJD6CA12CA1CA2CA7
SCHEMBL17144886 0.82 JMJD6 (0.51) JMJD6PIK3CACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104804008-B A kind of method of suitability for industrialized production methylsulfonic acid Telatinib Yiteng Pharmaceutical (Taizhou) Co. Ltd. (CN) 2016-03-23 CN claimed
CN-104804008-A Industrial production method of telatinib mesylate EDDINGPHARM TAIZHOU CO LTD 2015-07-29 CN claimed
EP-2948458-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-05-01 EP disclosed
US-9481682-B2 Substituted benzamides and substituted pyridinecarboxamides as Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
CN-104804008-B A kind of method of suitability for industrialized production methylsulfonic acid Telatinib Yiteng Pharmaceutical (Taizhou) Co. Ltd. (CN) 2016-03-23 CN disclosed
CN-104804008-B A kind of method of suitability for industrialized production methylsulfonic acid Telatinib Yiteng Pharmaceutical (Taizhou) Co. Ltd. (CN) 2016-03-23 CN disclosed
US-20150353570-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2948458-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-02 EP disclosed
CN-104804008-A Industrial production method of telatinib mesylate EDDINGPHARM TAIZHOU CO LTD 2015-07-29 CN disclosed
WO-2014114185-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
EP-1891047-A4 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2008-07-09 EP disclosed
EP-1891047-A2 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer HealthCare AG (DE) 2008-02-27 EP disclosed
EP-1858893-A1 1,3-THIAZOLE-5-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-11-28 EP disclosed
EP-1765811-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP disclosed
WO-2006133006-A2 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2006-12-14 WO disclosed
WO-2006096338-A1 1,3-THIAZOLE-5-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2006-09-14 WO disclosed
WO-2006023707-A2 2-AMINOTHIOPHENECARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-02 WO disclosed
WO-2006002383-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 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-20140206681-A1 BTK INHIBITORS BTK, SYK, LYN JMJD6 1593/4885PIK3CA 73/4885CA12 4665/4885
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 JMJD6 2345/4885PIK3CA 951/4885CA12 2305/4885
US-20150353570-A1 BTK INHIBITORS BTK, SYK, LYN JMJD6 1593/4885PIK3CA 73/4885CA12 4665/4885

“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.