SCHEMBL5599503

SCHEMBL5599503

COC(=O)C1CN(C(=O)O)CCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
PDK1 Q15118 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31

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
SCHEMBL28451158 1.00 ITGB2 (0.36) ITGB2ICAM1ITGALMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL28060468 0.98 ITGB2 (0.35) ITGB2ICAM1ITGALMAPTSMN1; SMN2
SCHEMBL14411662 0.86 CHRNB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2CHRNB2
SCHEMBL18231600 0.86 CHRNB2 (0.36) ITGB2ICAM1ITGALSMN1; SMN2CHRNB2
SCHEMBL26555059 0.85 ITGB2 (0.35) ITGB2ICAM1ITGALSMN1; SMN2CHRNB2
SCHEMBL12749680 0.85 ITGB2 (0.35) ITGB2ICAM1ITGALSMN1; SMN2CHRNB2
Hydrochloric Acid SCHEMBL17560654 0.83 ITGB2 (0.35) ITGB2ICAM1ITGALSMN1; SMN2CHRNB2
SCHEMBL749504 0.83 HRH3 (0.35) MAPTSMN1; SMN2
SCHEMBL3306996 0.82 MAPT (0.39) MAPTALDH1A1
SCHEMBL23792475 0.82 ITGB2 (0.34) ITGB2ICAM1ITGALSMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
CN-105399698-B Aromatic heterocyclic derivatives and its application in drug 广东东阳光药业有限公司 2018-08-10 CN disclosed
EP-3271354-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Pfizer Inc (US) 2018-01-24 EP disclosed
CN-105189456-B Covalent inhibitors of KRAS G12C 亚瑞克西斯制药公司 2017-12-19 CN disclosed
EP-3242872-A1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER Genentech, Inc. (US) 2017-11-15 EP disclosed
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 EP disclosed
EP-2872514-B1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-30 EP disclosed
US-9556178-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
EP-3097095-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE AbbVie Inc. (US) 2016-11-30 EP disclosed
WO-2016147144-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PFIZER INC. (US) 2016-09-22 WO disclosed
WO-2016112284-A1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2016-07-14 WO disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 WO disclosed
EP-3008056-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2016-04-20 EP disclosed
US-9273057-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
CN-105189456-A Covalent inhibitors of KRAS G12C ARAXES PHARMA LLC 2015-12-23 CN disclosed
US-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 US disclosed
WO-2015112754-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. (US) 2015-07-30 WO disclosed
US-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-03-05 US disclosed
WO-2014201172-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2014-12-18 WO disclosed
WO-2007056075-A2 SIX MEMBERED HETEROAROMATIC INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 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 (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-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 ITGB2 3599/4885ICAM1 4271/4885ITGAL 4193/4885
US-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 ITGB2 3599/4885ICAM1 4271/4885ITGAL 4193/4885

“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.