SCHEMBL4948936

SCHEMBL4948936

Cc1nc(Cl)c(CC=O)c(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.30
PDK4 Q16654 1/20 0.30

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
SCHEMBL16510912 0.81 ALDH1A1 (0.33)
SCHEMBL3818212 0.79 KDM4E (0.36)
SCHEMBL15556458 0.78
SCHEMBL4949048 0.78 PDK2 (0.32) PDK2
SCHEMBL3277032 0.77 GAA (0.39)
SCHEMBL29572357 0.71
SCHEMBL28733846 0.71
SCHEMBL5844067 0.70 PDK2 (0.37) PDK2
SCHEMBL782788 0.70 ALDH1A1 (0.36)
SCHEMBL6026300 0.69 KDM4E (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801114-B Fused bicyclic heteroaryl derivative, preparation method and application thereof in medicines 江苏恒瑞医药股份有限公司 2022-11-18 CN disclosed
CN-114539245-A Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-05-27 CN disclosed
CN-113801114-A Fused bicyclic heteroaryl derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2021-12-17 CN disclosed
US-9593121-B2 Indole substituted pyrrolopyrimidinyl inhibitors of Uba6 MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
US-9593121-B2 Indole substituted pyrrolopyrimidinyl inhibitors of Uba6 MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
US-9593121-B2 Indole substituted pyrrolopyrimidinyl inhibitors of Uba6 MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
EP-3036228-A1 NEW 6-ALKYNYL PYRIDINE Boehringer Ingelheim International GmbH (DE) 2016-06-29 EP disclosed
US-20150210700-A1 INDOLE-SUBSTITUTED PYRROLOPYRIMIDINYL INHIBITORS OF UBA6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-30 US disclosed
US-20150210700-A1 INDOLE-SUBSTITUTED PYRROLOPYRIMIDINYL INHIBITORS OF UBA6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-30 US disclosed
US-20150210700-A1 INDOLE-SUBSTITUTED PYRROLOPYRIMIDINYL INHIBITORS OF UBA6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-30 US disclosed
EP-2879681-A1 INDOLE-SUBSTITUTED PYRROLOPYRIMIDINYL INHIBITORS OF Uba6 Millennium Pharmaceuticals, Inc. (US) 2015-06-10 EP disclosed
WO-2015025019-A1 NEW 6-ALKYNYL PYRIDINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 WO disclosed
WO-2014022744-A1 INDOLE-SUBSTITUTED PYRROLOPYRIMIDINYL INHIBITORS OF Uba6 MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-06 WO disclosed
WO-2011152485-A1 NOVEL 4,5-FUSED PYRIMIDINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-12-08 WO disclosed
EP-1383747-B1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 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 (2 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-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 PDK2 1949/4885PDK4 2564/4885
US-20150210700-A1 INDOLE-SUBSTITUTED PYRROLOPYRIMIDINYL INHIBITORS OF UBA6 UBA6, UBE2V1, UBA1 PDK2 3269/4885PDK4 3591/4885

“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.