Sugi Predict

Sugi Predict / Compounds / SCHEMBL15948613

SCHEMBL15948613

SCHEMBL15948613

CCSCCc1cc(C)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.34
▸ HCAR2 Q8TDS4 2/20 0.32
▸ DAO P14920 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL17987711 0.84 HCAR2 (0.40) HCAR2
SCHEMBL14261205 0.78 — —
SCHEMBL2631524 0.75 CYP1A2 (0.44) HTR1AADRA2ACHRM1DRD1SLC6A4
SCHEMBL240846 0.73 — —
SCHEMBL8720555 0.72 — —
SCHEMBL5336589 0.72 — —
SCHEMBL12313051 0.71 HCAR2 (0.39) KCNH2HCAR2
SCHEMBL23000250 0.69 HCAR2 (0.45) HTR1AADRA2ACHRM1DRD1SLC6A4
SCHEMBL14045707 0.69 MAPK1 (0.47) HTR1AADRA2ACHRM1DRD1SLC6A4
SCHEMBL30206342 0.69 KCNH2 (0.38) HTR1AADRA2ACHRM1DRD1SLC6A4

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 16 patents. 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-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 (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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 HTR1A 4706/4885ADRA2A 4538/4885CHRM1 4855/4885
US-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HTR1A 921/4885ADRA2A 726/4885CHRM1 3214/4885
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 HTR1A 4363/4885ADRA2A 2986/4885CHRM1 4830/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC HTR1A 4398/4885ADRA2A 3626/4885CHRM1 4757/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 HTR1A 4808/4885ADRA2A 4161/4885CHRM1 4858/4885
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, ADK, TTK HTR1A 4343/4885ADRA2A 4045/4885CHRM1 4722/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 HTR1A 4706/4885ADRA2A 4538/4885CHRM1 4855/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC HTR1A 4398/4885ADRA2A 3626/4885CHRM1 4757/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 HTR1A 4706/4885ADRA2A 4538/4885CHRM1 4855/4885

“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.