Sugi Predict

Sugi Predict / Compounds / SCHEMBL231930

SCHEMBL231930

SCHEMBL231930

Cc1cnc(N2CCCCC2C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CHRM4 P08173 9/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ JAK3 P52333 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ SMPD3 Q9NY59 1/20 0.40
▸ CHRM2 P08172 1/20 0.39

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
SCHEMBL24092755 0.83 ALDH1A1 (0.45) CHRM4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL12186830 0.83 CHRM4 (0.42) KDM4EMAPTL3MBTL1CHRM4SMN1; SMN2
SCHEMBL9925926 0.82 CHRM4 (0.41) KDM4EMAPTL3MBTL1CHRM4SMN1; SMN2
SCHEMBL179313 0.81 CHRM4 (0.40) KDM4EMAPTL3MBTL1CHRM4SMN1; SMN2
SCHEMBL9924600 0.81 CHRM4 (0.41) KDM4EMAPTL3MBTL1CHRM4SMN1; SMN2
SCHEMBL12697193 0.80 CHRNB2 (0.44) KDM4EMAPTL3MBTL1CHRM4SMN1; SMN2
SCHEMBL2553324 0.80 CHRM4 (0.40) KDM4EMAPTL3MBTL1CHRM4SMN1; SMN2
SCHEMBL31507954 0.78 SMPD3 (0.48) HTTALDH1A1MEN1HPGDKMT2A
SCHEMBL31508012 0.78 SMPD3 (0.48) HTTALDH1A1MEN1HPGDKMT2A
SCHEMBL12640405 0.76 CHRM4 (0.38) KDM4EMAPTL3MBTL1CHRM4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4066834-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS Infinity Pharmaceuticals, Inc. (US) 2022-10-05 — — EP disclosed
EP-3613743-B1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES INTELLIKINE LLC (US) 2022-03-16 — — EP disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 — — EP disclosed
EP-3811974-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Infinity Pharmaceuticals, Inc. (US) 2021-04-28 — — EP disclosed
EP-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 — — EP disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 — — US disclosed
EP-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 — — EP disclosed
EP-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 — — EP disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 — — US disclosed
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2017-12-21 — — US disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 — — WO disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 — — US disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 — — US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 — — US disclosed
WO-2011146882-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INTELLIKINE, INC. (US) 2011-11-24 — — WO disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 — — US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 — — US disclosed
WO-2011008302-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2011-01-20 — — WO disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 — — US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 — — 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 (7 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA KDM4E 2229/4885MAPT 1518/4885L3MBTL1 2853/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A KDM4E 4500/4885MAPT 2419/4885L3MBTL1 2802/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB KDM4E 4349/4885MAPT 1903/4885L3MBTL1 4132/4885
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA KDM4E 3724/4885MAPT 1095/4885L3MBTL1 1714/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A KDM4E 3805/4885MAPT 1966/4885L3MBTL1 2206/4885
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT ORC3, OXSR1, OSTC KDM4E 4268/4885MAPT 3317/4885L3MBTL1 1985/4885
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB KDM4E 1566/4885MAPT 4584/4885L3MBTL1 1115/4885

“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.