SCHEMBL1027982

SCHEMBL1027982

Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(N)cc24)CCC3)n1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.80
THRB P10828 9/20 0.77
MAPK14 Q16539 8/20 0.77
TGFBR2 P37173 3/20 0.76
GAK O14976 1/20 0.76
RIPK2 O43353 1/20 0.76
MAP4K4 O95819 1/20 0.76
KDR P35968 1/20 0.76
ACVR1B P36896 1/20 0.76
CSNK1A1 P48729 1/20 0.76
CSNK1D P48730 1/20 0.76
CSNK1E P49674 1/20 0.76
TGFB2 P61812 1/20 0.76
MINK1 Q8N4C8 1/20 0.76
COQ8A Q8NI60 1/20 0.76
TNIK Q9UKE5 1/20 0.76
RIPK3 Q9Y572 1/20 0.76
MAP3K20 Q9NYL2 2/20 0.55
CYP2D6 P10635 1/20 0.55

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
Water SCHEMBL1029466 0.99 TGFBR1 (0.78) TGFBR1THRBMAPK14TGFBR2GAK
SCHEMBL413323 0.93 TGFBR1 (0.80) TGFBR1THRBMAPK14TGFBR2GAK
SCHEMBL12922146 0.90 TGFBR1 (0.82) TGFBR1THRBMAPK14TGFBR2GAK
SCHEMBL23852042 0.89 TGFBR1 (0.80) TGFBR1THRBMAPK14TGFBR2GAK
SCHEMBL373523 0.89 TGFBR1 (1.00) TGFBR1THRBMAPK14TGFBR2GAK
SCHEMBL31461242 0.89 TGFBR1 (1.00) TGFBR1THRBMAPK14TGFBR2GAK
SCHEMBL31461245 0.89 TGFBR1 (0.80) TGFBR1THRBMAPK14TGFBR2GAK
SCHEMBL5240012 0.89 TGFBR1 (0.80) TGFBR1THRBMAPK14TGFBR2GAK
SCHEMBL373314 0.87 TGFBR1 (1.00) TGFBR1THRBMAPK14TGFBR2GAK
SCHEMBL29740016 0.87 TGFBR1 (1.00) TGFBR1THRBMAPK14TGFBR2GAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995083-B2 Cocrystal of 2-(6-methyl-pyridine-2-yl)-3-yl-[6-amide-quinoline-4-yl]-5,6-dihydro-4H-pyrrole[1,2-b]pyrazole, preparation method therefor, and pharmaceutical composition HANGZHOU SOLIPHARMA CO., LTD. (CN) 2021-05-04 US claimed
US-20200017470-A1 COCRYSTAL OF 2-(6-METHYL-PYRIDINE-2-YL)-3-YL-[6-AMIDE-QUINOLINE-4-YL]-5,6-DIHYDRO-4H-PYRROLE[1,2-B]PYRAZOLE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION HANGZHOU SOLIPHARMA CO., LTD. (CN) 2020-01-16 US claimed
EP-1910370-B1 A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR LILLY CO ELI (US) 2015-04-22 EP claimed
US-7834029-B2 Quinolinyl-pyrrolopyrazoles ELI LILLY AND COMPANY (US) 2010-11-16 US claimed
US-20100120854-A1 TGF-BETA INHIBITORS ELI LILLY AND COMPANY (US) 2010-05-13 US claimed
EP-1910370-A1 A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR ELI LILLY AND COMPANY (US) 2008-04-16 EP claimed
US-20080027102-A1 QUINOLINYL-PYRROLOPYRAZOLES BEIGHT DOUGLAS W 2008-01-31 US claimed
CN-100345852-C Quinolinyl-pyrrolopyrazoles LILLY CO ELI (US) 2007-10-31 CN claimed
US-7265225-B2 Quinolinyl-pyrrolopyrazoles ELI LILLY AND COMPANY (US) 2007-09-04 US claimed
WO-2007018818-A1 A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR ELI LILLY AND COMPANY (US) 2007-02-15 WO claimed
EP-1565471-B1 QUINOLINYL-PYRROLOPYRAZOLES LILLY CO ELI (US) 2006-10-04 EP claimed
US-20060040983-A1 Quinolinyl-pyrrolopyrazoles ELI LILLY AND COMPANY (US) 2006-02-23 US claimed
CN-1714090-A Quinolinyl-pyrrolopyrazoles LILLY CO ELI (US) 2005-12-28 CN claimed
US-11857575-B2 Mesenchymal stem cell-derived exosomes and their uses TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-01-02 US disclosed
CN-110582279-B Co-crystals of 2- (6-methyl-pyridin-2-yl) -3-yl- [ 6-amido-quinolin-4-yl ] -5, 6-dihydro-4H-pyrrolo [1,2-b ] pyrazole, methods for preparing the same and pharmaceutical compositions 杭州领业医药科技有限公司 2023-07-14 CN disclosed
US-20220089600-A1 TGFß INHIBITOR AND PRODRUGS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2022-03-24 US disclosed
US-20060040983-A1 Quinolinyl-pyrrolopyrazoles ELI LILLY AND COMPANY (US) 2006-02-23 US disclosed
CN-1714090-A Quinolinyl-pyrrolopyrazoles LILLY CO ELI (US) 2005-12-28 CN disclosed
EP-1565471-A1 QUINOLINYL-PYRROLOPYRAZOLES ELI LILLY AND COMPANY (US) 2005-08-24 EP disclosed
WO-2004048382-A1 QUINOLINYL-PYRROLOPYRAZOLES ELI LILLY AND COMPANY (US) 2004-06-10 WO 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 (7 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-20220089600-A1 TGFß INHIBITOR AND PRODRUGS TGFB1, TGFBR1, TGFBR2 TGFBR1 2/4885THRB 89/4885MAPK14 185/4885
US-10995083-B2 Cocrystal of 2-(6-methyl-pyridine-2-yl)-3-yl-[6-amide-quinoline-4-yl]-5,6-dihydro-4H-pyrrole[1,2-b]pyrazole, preparation method therefor, and pharmaceutical composition TGFBR1, WEE2, TGFB2 TGFBR1 1/4885THRB 1506/4885MAPK14 283/4885
US-11857575-B2 Mesenchymal stem cell-derived exosomes and their uses EXOSC9, EXOSC5, EXOSC10 TGFBR1 2539/4885THRB 4617/4885MAPK14 3026/4885
US-20060040983-A1 Quinolinyl-pyrrolopyrazoles SDHA, NQO2, SDHB TGFBR1 4885/4885THRB 4526/4885MAPK14 2460/4885
US-20080027102-A1 QUINOLINYL-PYRROLOPYRAZOLES SDHA, NQO2, SDHB TGFBR1 4885/4885THRB 4526/4885MAPK14 2460/4885
US-20200017470-A1 COCRYSTAL OF 2-(6-METHYL-PYRIDINE-2-YL)-3-YL-[6-AMIDE-QUINOLINE-4-YL]-5,6-DIHYDRO-4H-PYRROLE[1,2-B]PYRAZOLE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION TGFBR1, WEE2, TGFB2 TGFBR1 1/4885THRB 1506/4885MAPK14 283/4885
US-20100120854-A1 TGF-BETA INHIBITORS TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885THRB 287/4885MAPK14 794/4885

“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.