Sugi Predict

Sugi Predict / Compounds / SCHEMBL11968682

SCHEMBL11968682

SCHEMBL11968682

CCc1cnn(CC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.47
▸ NAMPT P43490 1/20 0.35
▸ KDM5B Q9UGL1 2/20 0.35
▸ PDK2 Q15119 2/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KDM5A P29375 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ PIM1 P11309 2/20 0.31
▸ PIM3 Q86V86 2/20 0.31
▸ PIM2 Q9P1W9 2/20 0.31
▸ CTSD P07339 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ BACE2 Q9Y5Z0 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL26644112 0.85 ACHE (0.38) ACHENAMPTMAPK1L3MBTL1
SCHEMBL21502004 0.85 ACHE (0.45) ACHENAMPTKDM5BPDK2PRMT5
SCHEMBL26644108 0.85 ACHE (0.38) ACHENAMPTMAPK1L3MBTL1
SCHEMBL19121880 0.85 ACHE (0.35) ACHE
SCHEMBL15382056 0.85 ACHE (0.38) ACHENAMPTMAPK1L3MBTL1
SCHEMBL18858532 0.84 ACHE (0.47) ACHENAMPTKDM5BPDK2PRMT5
SCHEMBL18083202 0.82 ACHE (0.39) ACHEPIK3CA
SCHEMBL2410092 0.82 ACHE (0.46) ACHENAMPTKDM5BPDK2PRMT5
SCHEMBL20962646 0.82 JAK2 (0.40) ACHEL3MBTL1
SCHEMBL18712970 0.82 ACHE (0.33) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 — — US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 — — EP disclosed
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 — — US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 — — US disclosed
EP-3185865-B1 TETRAHYDRONAPTHTYRIDINE DERIVATIVES AS MGLUR2 NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE. MERCK SHARP & DOHME (US) 2020-07-15 — — EP disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 — — US disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 — — US disclosed
EP-2490692-B1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-11-16 — — EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 — — WO disclosed
US-20140228349-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES ARRAY BIOPHARMA, INC. 2014-08-14 — — US disclosed
US-20130012511-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-01-10 — — US disclosed
WO-2012123312-A1 PYRIDO[3,4-B]PYRAZINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-09-20 — — WO disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 — — US disclosed
US-8022215-B2 Fused pyridone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2011-09-20 — — US disclosed
US-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 — — 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 (9 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-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ACHE 4540/4885NAMPT 3149/4885KDM5B 1594/4885
US-20130012511-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3B, PDE3A, GUCY1B1 ACHE 492/4885NAMPT 4151/4885KDM5B 2406/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ACHE 4657/4885NAMPT 14/4885KDM5B 254/4885
US-20140228349-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES JAK1, JAK3, JAK2 ACHE 3869/4885NAMPT 3741/4885KDM5B 1575/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ACHE 4657/4885NAMPT 14/4885KDM5B 254/4885
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 ACHE 4746/4885NAMPT 1186/4885KDM5B 2354/4885
US-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, CHRM4 ACHE 92/4885NAMPT 2262/4885KDM5B 1545/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 ACHE 198/4885NAMPT 2980/4885KDM5B 2234/4885
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 ACHE 4868/4885NAMPT 3112/4885KDM5B 4743/4885

“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.