SCHEMBL17840543

SCHEMBL17840543

CC(=O)Nc1cc(C#Cc2nc(F)ccc2N)ccn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
MAPK14 Q16539 3/20 0.39
GSK3B P49841 2/20 0.39
PIK3C3 Q8NEB9 12/20 0.38
TGFBR1 P36897 2/20 0.37
TGFBR2 P37173 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CSNK1D P48730 1/20 0.37
CYP3A4 P08684 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
SCHEMBL25213109 0.87 GRM5 (0.39) GRM5GSK3BTGFBR1CYP3A4
SCHEMBL30365915 0.87 GRM5 (0.39) GRM5GSK3BTGFBR1CYP3A4
SCHEMBL17863762 0.87 GRM5 (0.50) GRM5PIK3C3TGFBR1TGFBR2L3MBTL1
SCHEMBL30365668 0.86 JAK2 (0.41) PIK3C3L3MBTL1
SCHEMBL25231512 0.86 JAK2 (0.41) PIK3C3L3MBTL1
SCHEMBL17840813 0.84 ACACB (0.42) PIK3C3TGFBR1TGFBR2CYP3A4
SCHEMBL17840742 0.81 JAK2 (0.41) PIK3C3L3MBTL1
SCHEMBL17840852 0.81 MAPK14 (0.37) MAPK14GSK3BPIK3C3TGFBR1TGFBR2
SCHEMBL30365653 0.81 MAPK14 (0.37) MAPK14GSK3BPIK3C3TGFBR1TGFBR2
SCHEMBL17840801 0.81 PIK3C3 (0.42) MAPK14GSK3BPIK3C3TGFBR1TGFBR2

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 GRM5 2579/4885MAPK14 3249/4885GSK3B 1669/4885
US-20160176871-A1 TGF BETA R ANTAGONISTS TGFBR2, TGFBR1, TGFB1 GRM5 992/4885MAPK14 2316/4885GSK3B 33/4885
US-12565496-B2 Substituted 1H-pyrrolo[3,2-b]pyridine compounds and methods of use thereof CYP1B1, CBR1, CYP4B1 GRM5 1445/4885MAPK14 3698/4885GSK3B 2089/4885
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF CYP1B1, CYP4B1, CYP2C19 GRM5 3533/4885MAPK14 2540/4885GSK3B 1863/4885
US-20250188075-A1 SUBSTITUTED HETEROCYCLIC CSNK1 INHIBITORS CSNK1A1, CSNK2A1, CSNK1A1L GRM5 3311/4885MAPK14 303/4885GSK3B 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.