SCHEMBL17645367

SCHEMBL17645367

O=C(COc1ccnc(Cl)c1)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 4/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ MAPK8 P45983 2/20 0.36
▸ MAPK10 P53779 2/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ AOC2 O75106 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NR1H4 Q96RI1 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
SCHEMBL17658800 0.92 PIP5K1C (0.38) FKBP1AGSK3BMAPK8MAPK10MAPK14
SCHEMBL17645463 0.90 NPC1 (0.41) NPC1RAB9ASMN1; SMN2EPHX1
SCHEMBL17645361 0.88 TAS1R3 (0.39) NPC1RAB9ASMN1; SMN2EPHX1
SCHEMBL28404379 0.85 TACR1 (0.41) NPC1RAB9A
SCHEMBL28678330 0.84 GSK3B (0.41) FKBP1AGSK3BMAPK8MAPK10MAPK14
SCHEMBL28400919 0.82 GSK3B (0.38) FKBP1AGSK3BNPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL30619319 0.78 TACR1 (0.41) —
SCHEMBL22851141 0.78 MAPK8 (0.36) MAPK8MAPK10MAPK14RAF1ABL1
SCHEMBL28398406 0.76 STS (0.48) NPC1RAB9A
SCHEMBL22851411 0.75 FKBP1A (0.36) FKBP1AGSK3BMAPK8MAPK10MAPK14

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-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS NEXYS THERAPEUTICS, INC. (US) 2024-12-05 — — US disclosed
US-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer NEXYS THERAPEUTICS, INC. (US) 2024-10-01 — — US disclosed
EP-3902796-B1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS INC (US) 2024-02-07 — — EP disclosed
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 — — US disclosed
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 — — US disclosed
CN-111196804-B TGF-beta R1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-11-07 — — CN disclosed
US-11691981-B2 Heterocyclic compounds, preparation methods therefor, and methods of uses thereof InventisBio Co., Ltd. (CN) 2023-07-04 — — US disclosed
US-11691981-B2 Heterocyclic compounds, preparation methods therefor, and methods of uses thereof InventisBio Co., Ltd. (CN) 2023-07-04 — — US disclosed
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS, INC. (US) 2022-02-24 — — US disclosed
EP-3902796-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER Nexys Therapeutics, Inc. (US) 2021-11-03 — — EP disclosed
EP-3204377-B1 AMINOPYRIDYLOXYPYRAZOLE COMPOUNDS LILLY CO ELI (US) 2018-09-26 — — EP disclosed
EP-3204377-A1 AMINOPYRIDYLOXYPYRAZOLE COMPOUNDS Eli Lilly and Company (US) 2017-08-16 — — EP disclosed
US-9617243-B2 Aminopyridyloxypyrazole compounds ELI LILLY AND COMPANY (US) 2017-04-11 — — US disclosed
US-9617243-B2 Aminopyridyloxypyrazole compounds ELI LILLY AND COMPANY (US) 2017-04-11 — — US disclosed
US-9617243-B2 Aminopyridyloxypyrazole compounds ELI LILLY AND COMPANY (US) 2017-04-11 — — US disclosed
WO-2016057278-A1 AMINOPYRIDYLOXYPYRAZOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2016-04-14 — — WO disclosed
WO-2016057278-A1 AMINOPYRIDYLOXYPYRAZOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2016-04-14 — — WO disclosed
US-20160096823-A1 AMINOPYRIDYLOXYPYRAZOLE COMPOUNDS LILLY CO ELI (US) 2016-04-07 — — US disclosed
US-20160096823-A1 AMINOPYRIDYLOXYPYRAZOLE COMPOUNDS LILLY CO ELI (US) 2016-04-07 — — US disclosed
US-20160096823-A1 AMINOPYRIDYLOXYPYRAZOLE COMPOUNDS LILLY CO ELI (US) 2016-04-07 — — 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 (6 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-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer TGFBR1, TGFBR2, ACVR1 FKBP1A 2284/4885GSK3B 344/4885MAPK8 2123/4885
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF TGFB1, TGFB2, TGFBR1 FKBP1A 593/4885GSK3B 33/4885MAPK8 86/4885
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS ACVR1, TGFBR1, ACVRL1 FKBP1A 1859/4885GSK3B 255/4885MAPK8 1793/4885
US-20160096823-A1 AMINOPYRIDYLOXYPYRAZOLE COMPOUNDS TGFBR1, TGFBR2, PDGFRB FKBP1A 1189/4885GSK3B 253/4885MAPK8 1082/4885
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER TGFBR1, TGFBR2, ACVR1 FKBP1A 2284/4885GSK3B 344/4885MAPK8 2123/4885
US-11691981-B2 Heterocyclic compounds, preparation methods therefor, and methods of uses thereof TGFB1, TGFB2, TGFBR1 FKBP1A 593/4885GSK3B 33/4885MAPK8 86/4885

“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.

Send feedback