Sugi Predict

Sugi Predict / Compounds / SCHEMBL1176828

SCHEMBL1176828

SCHEMBL1176828

[CH2]c1cc2cccnc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.53
▸ RIPK1 Q13546 13/20 0.50
▸ CCNB2 O95067 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ AXL P30530 1/20 0.45
▸ NUDT1 P36639 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ SNCA P37840 1/20 0.43

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
SCHEMBL12333 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL20098707 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL745278 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL27984199 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL27680363 0.75 DAO (0.62) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL7639694 0.75 RIPK1 (0.59) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL30678374 0.75 DAO (0.62) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL575029 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL2595303 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL25230913 0.75 DRD2 (0.50) DAORIPK1CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024104425-A1 KRAS INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 广东东阳光药业股份有限公司 2024-05-23 — — WO claimed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 — — EP claimed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 — — US claimed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 — — US claimed
WO-2024104425-A1 KRAS INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 广东东阳光药业股份有限公司 2024-05-23 — — WO disclosed
EP-3122741-B1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-06-06 — — EP disclosed
US-9951063-B2 8-(piperazin-1-yl)-1,2,3,4-tetrahydro-isoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-24 — — US disclosed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 — — EP disclosed
US-20170107214-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-20 — — US disclosed
EP-3122741-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2017-02-01 — — EP disclosed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 — — US disclosed
WO-2015145322-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-10-01 — — WO disclosed
US-7888344-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2011-02-15 — — US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 — — US disclosed
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-11-25 — — US disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 — — US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 — — WO disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 — — EP disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 — — US disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 — — 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 (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-20170107214-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES CXCR3, CXCR1, CXCR2 DAO 4558/4885RIPK1 790/4885CCNB2 1676/4885
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 DAO 918/4885RIPK1 123/4885CCNB2 1481/4885
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA DAO 1670/4885RIPK1 200/4885CCNB2 2346/4885
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors TEC, BTK, PI4KA DAO 2203/4885RIPK1 244/4885CCNB2 2101/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA DAO 2458/4885RIPK1 266/4885CCNB2 2434/4885
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 DAO 1551/4885RIPK1 239/4885CCNB2 2692/4885

“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.