Sugi Predict

Sugi Predict / Compounds / SCHEMBL15075280

SCHEMBL15075280

SCHEMBL15075280

CNCCCOCCOCCOCCCNC(=O)CCCC(=O)NCCCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 2/20 0.50
▸ TSHR P16473 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ CASP2 P42575 1/20 0.36
▸ PAOX Q6QHF9 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FOXO1 Q12778 1/20 0.35
▸ EPOR P19235 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL17987709 0.89 TSHR (0.59) TSHRSMN1; SMN2KDM4ECASP2MEN1
SCHEMBL17635396 0.89 DNM1 (0.54) DNM1TSHRSMN1; SMN2KDM4ECASP2
SCHEMBL17371401 0.88 TSHR (0.45) DNM1TSHRSMN1; SMN2CASP2MEN1
SCHEMBL24690520 0.87 TSHR (0.44) DNM1TSHRSMN1; SMN2KDM4ECASP2
SCHEMBL15780068 0.86 DNM1 (0.51) DNM1TSHRSMN1; SMN2KDM4ECASP2
SCHEMBL24234642 0.84 DNM1 (0.55) DNM1TSHRSMN1; SMN2PAOXHPGD
SCHEMBL15075276 0.82 TSHR (0.74) TSHRSMN1; SMN2KDM4EMEN1HPGD
SCHEMBL16071577 0.82 TSHR (0.54) TSHRSMN1; SMN2KDM4ECASP2MEN1
SCHEMBL17524776 0.79 TSHR (0.51) TSHRSMN1; SMN2CASP2MEN1HPGD
SCHEMBL24511325 0.79 CASP2 (0.55) TSHRSMN1; SMN2CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 — — US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 — — US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 — — US disclosed
US-9695132-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2017-07-04 — — US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 — — US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 — — US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 — — US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 — — US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 — — US disclosed
US-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-10-20 — — US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 — — US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 — — US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 — — US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
US-9212181-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-15 — — US disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 — — US disclosed
US-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2014-10-02 — — US disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — US disclosed
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 — — US disclosed
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-06-27 — — 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 (12 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-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DNM1 2246/4885TSHR 2837/4885SMN1; SMN2 2352/4885
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 DNM1 1622/4885TSHR 3596/4885SMN1; SMN2 4304/4885
US-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DNM1 2246/4885TSHR 2837/4885SMN1; SMN2 2352/4885
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 DNM1 3278/4885TSHR 4677/4885SMN1; SMN2 4098/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC DNM1 1753/4885TSHR 4378/4885SMN1; SMN2 4743/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 DNM1 1740/4885TSHR 3598/4885SMN1; SMN2 3812/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 DNM1 1622/4885TSHR 3596/4885SMN1; SMN2 4304/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 DNM1 1622/4885TSHR 3596/4885SMN1; SMN2 4304/4885
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DNM1 2246/4885TSHR 2837/4885SMN1; SMN2 2352/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC DNM1 1753/4885TSHR 4378/4885SMN1; SMN2 4743/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 DNM1 1622/4885TSHR 3596/4885SMN1; SMN2 4304/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DNM1 2246/4885TSHR 2837/4885SMN1; SMN2 2352/4885

“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.