Sugi Predict

Sugi Predict / Compounds / SCHEMBL16059356

SCHEMBL16059356

SCHEMBL16059356

CC(C)(C)c1cccc(NC(=O)c2ccc(Cl)c(N)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.64
▸ HDAC6 Q9UBN7 2/20 0.64
▸ HDAC3 O15379 1/20 0.64
▸ KCNK9 Q9NPC2 1/20 0.56
▸ KCNK3 O14649 1/20 0.54
▸ P2RX1 P51575 1/20 0.54
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ KCNJ6 P48051 1/20 0.51
▸ KCNJ5 P48544 1/20 0.51
▸ KCNJ3 P48549 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ MAPK14 Q16539 2/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ NR1H4 Q96RI1 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ THRB P10828 1/20 0.49

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
SCHEMBL4697489 0.87 MAPT (0.68) KCNK9KCNK3P2RX1MAPTMAPK14
SCHEMBL16060222 0.87 BRAF (0.55) HDAC8HDAC6HDAC3
SCHEMBL16071625 0.86 HDAC8 (0.65) HDAC8HDAC6HDAC3KCNK9KCNK3
SCHEMBL19363654 0.84 HDAC8 (0.62) HDAC8HDAC6HDAC3KCNK9KCNK3
SCHEMBL16133974 0.82 HDAC8 (0.61) HDAC8HDAC6HDAC3KCNK9KCNK3
SCHEMBL21652183 0.82 HDAC8 (0.76) HDAC8HDAC6HDAC3KCNK9KCNK3
SCHEMBL2303650 0.82 HDAC8 (0.67) HDAC8HDAC6HDAC3KCNK9KCNK3
SCHEMBL6814507 0.81 MAPT (0.59) HDAC8HDAC6HDAC3KCNK9KCNK3
SCHEMBL9978818 0.80 HDAC6 (0.77) HDAC8HDAC6HDAC3KCNK9KCNK3
SCHEMBL16137326 0.79 HDAC8 (0.70) HDAC8HDAC6HDAC3KCNK9KCNK3

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
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2022-10-20 — — US disclosed
EP-3943087-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2022-01-26 — — EP disclosed
EP-2968337-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2021-07-21 — — EP disclosed
CN-111793068-A Heteroaryl compounds and uses thereof 西建卡尔有限责任公司 2020-10-20 — — CN disclosed
US-10774052-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2020-09-15 — — US disclosed
CN-105307657-B Heteroaryl compounds and uses thereof 西建卡尔有限责任公司 2020-07-10 — — CN disclosed
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2020-04-14 — — US disclosed
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 — — US disclosed
US-10189794-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2019-01-29 — — US disclosed
US-10065966-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2018-09-04 — — US disclosed
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-01-25 — — US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 — — 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-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-08-04 — — US disclosed
US-9321786-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-04-26 — — US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 — — US disclosed
EP-2968337-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 — — EP disclosed
US-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2014-10-02 — — US disclosed
WO-2014144737-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-18 — — 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 (11 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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC HDAC8 2922/4885HDAC6 1792/4885HDAC3 2229/4885
US-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HDAC8 1316/4885HDAC6 138/4885HDAC3 148/4885
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HDAC8 1316/4885HDAC6 138/4885HDAC3 148/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC HDAC8 2922/4885HDAC6 1792/4885HDAC3 2229/4885
US-10774052-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 HDAC8 1316/4885HDAC6 138/4885HDAC3 148/4885
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases PDXK, DCK, DTYMK HDAC8 3000/4885HDAC6 3093/4885HDAC3 2855/4885
US-10189794-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 HDAC8 1316/4885HDAC6 138/4885HDAC3 148/4885
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HDAC8 1316/4885HDAC6 138/4885HDAC3 148/4885
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HDAC8 1316/4885HDAC6 138/4885HDAC3 148/4885
US-10065966-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CDK2, PDXK, MAP4K2 HDAC8 2979/4885HDAC6 2863/4885HDAC3 3032/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC HDAC8 2922/4885HDAC6 1792/4885HDAC3 2229/4885

“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.