SCHEMBL17840852

SCHEMBL17840852

CC(=O)Nc1cc(C#Cc2nc(F)ccc2NC(=O)C(F)(F)F)ccn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.37
MAPK13 O15264 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3C3 Q8NEB9 3/20 0.36
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
GSK3B P49841 2/20 0.34
CSNK1D P48730 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
SCHEMBL30365653 1.00 MAPK14 (0.37) MAPK14MAPK13L3MBTL1PIK3C3TGFBR1
SCHEMBL25245540 0.91 LMNA (0.40) TGFBR1GSK3B
SCHEMBL25246220 0.89 GRM5 (0.40) MAPK14MAPK13L3MBTL1PIK3C3TGFBR1
SCHEMBL17840686 0.87 ACACB (0.38) MAPK14MAPK13L3MBTL1PIK3C3TGFBR1
SCHEMBL30365566 0.85 L3MBTL1 (0.40) MAPK14MAPK13L3MBTL1PIK3C3TGFBR1
SCHEMBL17840796 0.85 L3MBTL1 (0.40) MAPK14MAPK13L3MBTL1PIK3C3TGFBR1
SCHEMBL17840786 0.83 PIK3C3 (0.38) MAPK14MAPK13L3MBTL1PIK3C3TGFBR1
SCHEMBL17840543 0.81 GRM5 (0.41) MAPK14L3MBTL1PIK3C3TGFBR1TGFBR2
SCHEMBL25248027 0.81 PIK3C3 (0.39) MAPK14L3MBTL1PIK3C3
SCHEMBL17840596 0.81 PIK3C3 (0.41) MAPK14L3MBTL1PIK3C3TGFBR1

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 23 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-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
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 MAPK14 3249/4885MAPK13 2854/4885L3MBTL1 4701/4885
US-20160176871-A1 TGF BETA R ANTAGONISTS TGFBR2, TGFBR1, TGFB1 MAPK14 2316/4885MAPK13 1914/4885L3MBTL1 903/4885
US-12565496-B2 Substituted 1H-pyrrolo[3,2-b]pyridine compounds and methods of use thereof CYP1B1, CBR1, CYP4B1 MAPK14 3698/4885MAPK13 2275/4885L3MBTL1 3263/4885
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF CYP1B1, CYP4B1, CYP2C19 MAPK14 2540/4885MAPK13 1663/4885L3MBTL1 4872/4885
US-20250188075-A1 SUBSTITUTED HETEROCYCLIC CSNK1 INHIBITORS CSNK1A1, CSNK2A1, CSNK1A1L MAPK14 303/4885MAPK13 216/4885L3MBTL1 3661/4885

“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.