SCHEMBL3950985

SCHEMBL3950985

Cc1n[nH]c2nccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.38
▸ MAPK1 P28482 2/20 0.35
▸ CCNB2 O95067 8/20 0.34
▸ CDK1 P06493 8/20 0.34
▸ CCNB1 P14635 8/20 0.34
▸ GSK3B P49841 8/20 0.34
▸ CCNB3 Q8WWL7 8/20 0.34
▸ GSK3A P49840 7/20 0.34
▸ CDK5 Q00535 7/20 0.34
▸ CDK5R1 Q15078 7/20 0.34
▸ GRM4 Q14833 4/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ DYRK1A Q13627 1/20 0.33
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CCNE2 O96020 1/20 0.32
▸ INSR P06213 1/20 0.32
▸ CFTR P13569 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ MAPK3 P27361 1/20 0.32

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
SCHEMBL18357966 0.76 PDK2 (0.36) PDPK1MAPK1CCNB2CDK1CCNB1
SCHEMBL6358084 0.75 MAPK1 (0.38) MAPK1GRM4YTHDC1YTHDF2
SCHEMBL19258970 0.73 YTHDC1 (0.40) PDPK1MAPK1GRM4YTHDC1YTHDF2
SCHEMBL17455475 0.73 PDPK1 (0.53) PDPK1CYP1A2DYRK1A
SCHEMBL3954043 0.73 MAPK1 (0.44) PDPK1MAPK1CDK5DYRK1A
SCHEMBL20247408 0.73 MAPK1 (0.33) PDPK1MAPK1
SCHEMBL30876173 0.71 MAPK1 (0.35) MAPK1CCNB2CDK1CCNB1GSK3B
SCHEMBL30316980 0.71 MAPK1 (0.35) MAPK1GRM4
SCHEMBL14906033 0.71 MAPK1 (0.45) MAPK1
SCHEMBL30180924 0.71 DYRK1A (0.38) PDPK1MAPK1CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007504243-A — — 2007-03-01 — — JP claimed
EP-1675858-A2 5-ARYL-PYRAZOLO [4,3-D] PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2006-07-05 — — EP claimed
WO-2005028480-A2 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2005-03-31 — — WO claimed
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 — — EP disclosed
US-20230102554-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. 2023-03-30 — — US disclosed
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 — — EP disclosed
EP-3990443-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, Inc. (US) 2022-05-04 — — EP disclosed
WO-2021126995-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER ENGINE BIOSCIENCES PTE. LTD. (SG) 2021-06-24 — — WO disclosed
WO-2020264420-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. (US) 2020-12-30 — — WO disclosed
WO-2020264420-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. (US) 2020-12-30 — — WO disclosed
EP-2935247-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2019-08-28 — — EP disclosed
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 — — US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 — — US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 — — US disclosed
US-20100168097-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-01 — — US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 — — US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 — — US disclosed
WO-2009032653-A1 INHIBITORS OF AKT ACTIVITY SMITH KLINE BEECHAM CORPORATION (US) 2009-03-12 — — WO disclosed
WO-2009032653-A1 INHIBITORS OF AKT ACTIVITY SMITH KLINE BEECHAM CORPORATION (US) 2009-03-12 — — WO disclosed
WO-2008116139-A2 N-HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-25 — — 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-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PDPK1 102/4885MAPK1 215/4885CCNB2 1848/4885
US-20100168097-A1 Non-Nucleoside Reverse Transcriptase Inhibitors RNGTT, POLR1E, RTF1 PDPK1 3198/4885MAPK1 2083/4885CCNB2 458/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PDPK1 102/4885MAPK1 215/4885CCNB2 1848/4885
US-20230102554-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF PDGFRB, PDGFRA, FGFR1 PDPK1 487/4885MAPK1 232/4885CCNB2 837/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PDPK1 102/4885MAPK1 215/4885CCNB2 1848/4885

“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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