SCHEMBL603775

SCHEMBL603775

CC(C)(C#N)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
ROCK1 Q13464 1/20 0.40
BRAF P15056 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP19A1 P11511 2/20 0.39
KIF11 P52732 2/20 0.38
KCNH2 Q12809 2/20 0.36
SLC6A2 P23975 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
ITGA5 P08648 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRNA3 P32297 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1592771 0.85 JAK2 (0.44) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL75934 0.82 KIF11 (0.40) CYP19A1KIF11KCNH2TSHRALDH1A1
Hydrochloric Acid SCHEMBL27916038 0.81 KIF11 (0.39) CYP19A1KIF11ALDH1A1CYP3A4KMT2A
SCHEMBL10183753 0.79 HDAC4 (0.42) JAK2ROCK2PRKCQPRKCDROCK1
Methylene Chloride SCHEMBL27916056 0.78 KIF11 (0.41) CYP19A1KIF11SLC6A2SLC6A4HRH1
SCHEMBL1627023 0.78 PRKCQ (0.44) PRKCQCYP19A1KIF11KCNH2RAPGEF3
SCHEMBL2442297 0.78 ACHE (0.44) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL3096971 0.77 CYP19A1 (0.42) CYP19A1KIF11KCNH2SLC6A2CHRNA1
SCHEMBL20198197 0.77 CYP19A1 (0.42) CYP19A1KIF11KCNH2SLC6A2CHRNA1
SCHEMBL8137247 0.76 ESR1 (0.50) CYP19A1KIF11TSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 US disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
CN-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 CN disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US disclosed
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US disclosed
WO-2011071565-A1 TGR5 AGONISTS EXELIXIS, INC. (US) 2011-06-16 WO disclosed
US-7928139-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-04-19 US disclosed
WO-2010093845-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS, INC. (US) 2010-08-19 WO disclosed
WO-2010093845-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS, INC. (US) 2010-08-19 WO disclosed
US-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2010-02-25 US disclosed
US-7635715-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-12-22 US disclosed
EP-2111399-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen Inc. (US) 2009-10-28 EP disclosed
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-04-09 US disclosed
WO-2008076427-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 WO disclosed
US-4143061-A 3-(α,α-Dimethylbenzyl)urea compounds, compositions, and their use as herbicides SHOWA DENKO KABUSHIKI KAISHA (JP) 1979-03-06 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 (4 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-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF EGLN2, EGLN3, HIF1AN JAK2 1987/4885ROCK2 3340/4885PRKCQ 3999/4885
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof EGLN2, EGLN3, HIF1AN JAK2 1987/4885ROCK2 3340/4885PRKCQ 3999/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT JAK2 2839/4885ROCK2 3012/4885PRKCQ 3956/4885
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA JAK2 294/4885ROCK2 1131/4885PRKCQ 1980/4885

“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.