SCHEMBL17840950

SCHEMBL17840950

CC(=O)Nc1cc(-c2[nH]c3ccc(F)nc3c2-c2ccc(F)cn2)ccn1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.81
TGFBR2 P37173 8/20 0.81
MAPK14 Q16539 7/20 0.48
GSK3B P49841 2/20 0.48
BUB1 O43683 1/20 0.45
PRKD1 Q15139 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43

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
SCHEMBL30365995 1.00 TGFBR1 (0.81) TGFBR1TGFBR2MAPK14GSK3BBUB1
SCHEMBL17863741 0.91 TGFBR1 (0.78) TGFBR1TGFBR2MAPK14GSK3B
SCHEMBL25213270 0.89 TGFBR1 (0.65) TGFBR1TGFBR2MAPK14GSK3BBUB1
SCHEMBL17840961 0.89 TGFBR1 (1.00) TGFBR1TGFBR2MAPK14GSK3BPRKD1
SCHEMBL17840877 0.89 TGFBR1 (0.79) TGFBR1TGFBR2MAPK14GSK3B
SCHEMBL25205228 0.87 TGFBR1 (0.67) TGFBR1TGFBR2MAPK14GSK3BBUB1
SCHEMBL30387676 0.87 TGFBR1 (0.62) TGFBR1TGFBR2MAPK14GSK3BPRKD1
SCHEMBL25435271 0.87 TGFBR1 (0.62) TGFBR1TGFBR2MAPK14GSK3BPRKD1
SCHEMBL30387809 0.87 TGFBR1 (0.62) TGFBR1TGFBR2MAPK14GSK3BPRKD1
SCHEMBL30387558 0.87 TGFBR1 (0.62) TGFBR1TGFBR2MAPK14GSK3BPRKD1

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 15 patents. 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
EP-4509122-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2025-02-19 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
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
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 (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-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF CYP11B2, SDHA, UGT2B7 TGFBR1 4404/4885TGFBR2 4317/4885MAPK14 3249/4885
US-20160176871-A1 TGF BETA R ANTAGONISTS TGFBR2, TGFBR1, TGFB1 TGFBR1 2/4885TGFBR2 1/4885MAPK14 2316/4885
US-12565496-B2 Substituted 1H-pyrrolo[3,2-b]pyridine compounds and methods of use thereof CYP1B1, CBR1, CYP4B1 TGFBR1 3324/4885TGFBR2 3296/4885MAPK14 3698/4885
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF CYP1B1, CYP4B1, CYP2C19 TGFBR1 4506/4885TGFBR2 4544/4885MAPK14 2540/4885

“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.