Sugi Predict

Sugi Predict / Compounds / SCHEMBL17840796

SCHEMBL17840796

SCHEMBL17840796

CC(=O)Nc1cc(C#Cc2ncccc2NC(=O)C(F)(F)F)ccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ MAPK14 Q16539 5/20 0.38
▸ SLC40A1 Q9NP59 2/20 0.38
▸ PIK3C3 Q8NEB9 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL30365566 1.00 L3MBTL1 (0.40) L3MBTL1GSK3AGSK3BMAPK14SLC40A1
SCHEMBL25227856 0.90 GSK3A (0.39) GSK3AGSK3BSLC40A1LMNAKDM4E
SCHEMBL30365432 0.86 METAP1 (0.41) GSK3AGSK3BSLC40A1LMNATGFBR1
SCHEMBL25228805 0.86 METAP1 (0.41) GSK3AGSK3BSLC40A1LMNATGFBR1
SCHEMBL17865341 0.85 GSK3A (0.39) L3MBTL1GSK3AGSK3BMAPK14PIK3C3
SCHEMBL17840596 0.85 PIK3C3 (0.41) L3MBTL1MAPK14PIK3C3LMNATGFBR1
SCHEMBL25248027 0.85 PIK3C3 (0.39) L3MBTL1MAPK14PIK3C3
SCHEMBL17840786 0.85 PIK3C3 (0.38) L3MBTL1MAPK14PIK3C3TGFBR1MAPK13
SCHEMBL30365755 0.85 PIK3C3 (0.39) L3MBTL1MAPK14PIK3C3
SCHEMBL25246220 0.85 GRM5 (0.40) L3MBTL1GSK3BMAPK14PIK3C3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565496-B2 Substituted 1H-pyrrolo[3,2-b]pyridine compounds and methods of use thereof BAYER AKTIENGESELLSCHAFT (DE) 2026-03-03 — — US disclosed
US-20250188075-A1 SUBSTITUTED HETEROCYCLIC CSNK1 INHIBITORS THE BROAD INSTITUTE, INC. 2025-06-12 — — US disclosed
EP-4509122-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2025-02-19 — — EP disclosed
EP-4469457-A1 SUBSTITUTED HETEROCYCLIC CSNK1 INHIBITORS The Broad Institute Inc. (US) 2024-12-04 — — EP disclosed
EP-4188930-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF BAYER AG (DE) 2024-10-23 — — EP disclosed
EP-4188928-B1 SUBSTITUTED 1 H-PYRROLO[3,2-B]PYRIDIN COMPOUNDS AND METHODS OF USE THEREOF BAYER AG (DE) 2024-07-24 — — EP disclosed
US-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-12-07 — — US disclosed
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-10-26 — — US disclosed
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-10-26 — — US disclosed
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-10-26 — — US disclosed
EP-4188928-A1 SUBSTITUTED 1 H-PYRROLO[3,2-B]PYRIDIN COMPOUNDS AND METHODS OF USE THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 — — EP disclosed
EP-4188930-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 — — EP disclosed
EP-3237415-A1 TGF RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2017-11-01 — — EP disclosed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 — — US disclosed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 — — US disclosed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 — — US disclosed
WO-2016106266-A1 TGFβ RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 — — WO disclosed
WO-2016106266-A1 TGFβ RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 — — WO disclosed
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 — — US disclosed
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 — — 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 (5 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-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF CYP11B2, SDHA, UGT2B7 L3MBTL1 4701/4885GSK3A 1975/4885GSK3B 1669/4885
US-20160176871-A1 TGF BETA R ANTAGONISTS TGFBR2, TGFBR1, TGFB1 L3MBTL1 903/4885GSK3A 52/4885GSK3B 33/4885
US-12565496-B2 Substituted 1H-pyrrolo[3,2-b]pyridine compounds and methods of use thereof CYP1B1, CBR1, CYP4B1 L3MBTL1 3263/4885GSK3A 2539/4885GSK3B 2089/4885
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF CYP1B1, CYP4B1, CYP2C19 L3MBTL1 4872/4885GSK3A 2820/4885GSK3B 1863/4885
US-20250188075-A1 SUBSTITUTED HETEROCYCLIC CSNK1 INHIBITORS CSNK1A1, CSNK2A1, CSNK1A1L L3MBTL1 3661/4885GSK3A 254/4885GSK3B 249/4885

“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.