Sugi Predict

Sugi Predict / Compounds / SCHEMBL15948532

SCHEMBL15948532

SCHEMBL15948532

CCSCCc1cc(C)n(C)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.35
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HTT P42858 2/20 0.33
▸ HPGD P15428 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ BAZ2B Q9UIF8 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ GLS O94925 1/20 0.31
▸ POLB P06746 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
SCHEMBL17987628 0.81 HPGD (0.31) HPGD
SCHEMBL9965045 0.79 BCHE (0.49) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL2631521 0.76 BCHE (0.46) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL256103 0.74 — —
SCHEMBL292212 0.73 BCHE (0.47) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL21894060 0.73 BCHE (0.47) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL964527 0.73 BCHE (0.51) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL28136861 0.73 KCNH2 (0.44) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL18255991 0.69 BCHE (0.44) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL12313047 0.69 POLB (0.30) HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3943087-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2022-01-26 — — EP disclosed
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-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 — — 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-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 — — US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 — — US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 — — US disclosed
US-9321786-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-04-26 — — 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 BCHE 3952/4885ALDH1A1 2838/4885LMNA 4037/4885
US-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 BCHE 208/4885ALDH1A1 684/4885LMNA 2409/4885
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 BCHE 4379/4885ALDH1A1 4078/4885LMNA 4652/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC BCHE 3052/4885ALDH1A1 3719/4885LMNA 3640/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 BCHE 3900/4885ALDH1A1 2289/4885LMNA 3554/4885
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, ADK, TTK BCHE 2699/4885ALDH1A1 2717/4885LMNA 4318/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 BCHE 3952/4885ALDH1A1 2838/4885LMNA 4037/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 BCHE 3952/4885ALDH1A1 2838/4885LMNA 4037/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC BCHE 3052/4885ALDH1A1 3719/4885LMNA 3640/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 BCHE 3952/4885ALDH1A1 2838/4885LMNA 4037/4885

“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.