SCHEMBL4098321

SCHEMBL4098321

Cc1noc2cc(N)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
CASP1 P29466 3/20 0.44
GAA P10253 2/20 0.44
CASP7 P55210 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
GLA P06280 1/20 0.44
CA9 Q16790 1/20 0.44
GRM4 Q14833 2/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
SRC P12931 2/20 0.38

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
SCHEMBL5334311 0.84 NPC1 (0.42) ALDH1A1KDM4EHPGDCASP1GAA
SCHEMBL15922141 0.79 F9 (0.43) ALDH1A1KDM4EHPGDCASP1GAA
SCHEMBL4399692 0.79 CHRNB2 (0.45) ALDH1A1KDM4EHPGDGAAGRM4
SCHEMBL18805037 0.76 BRD4 (0.48) GRM4CHRNB2CHRNA4ESR1ESR2
SCHEMBL1121898 0.76 BRD4 (0.48) GRM4CHRNB2CHRNA4ESR1ESR2
SCHEMBL10222158 0.76 ALDH1A1 (0.49) ALDH1A1GRM4CHRNB2CHRNA4KMT2A
SCHEMBL745847 0.76 ESR1 (0.62) ALDH1A1KDM4EHSD17B10MAPTESR1
SCHEMBL18788867 0.76 CHRNB2 (0.42) GRM4CHRNB2CHRNA4ESR1ESR2
SCHEMBL1530408 0.76 BRD4 (0.45) ALDH1A1KDM4EHPGDGRM4CHRNB2
SCHEMBL29673224 0.76 CHRNB2 (0.40) CA12CA1CA9GRM4CHRNB2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416948-B1 INDACENE BEARING SULFONYLUREAS AS ANTI-INFLAMMATORY AGENTS UNIV QUEENSLAND (AU) 2024-07-24 EP claimed
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE INSTITUTO ITALIANO DI TECNOLOGIA (IT) 2025-12-09 US disclosed
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US disclosed
EP-3596067-B1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-06-07 EP disclosed
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECHNOLOGIA (IT) 2023-03-07 US disclosed
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-02-09 US disclosed
US-11396517-B1 Exo-aza spiro inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-07-26 US disclosed
WO-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 WO disclosed
US-20200131157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2020-04-30 US disclosed
WO-2018167695-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2018-09-20 WO disclosed
US-20150344447-A1 NOVEL TRAPS IN THE TREATMENT OF MACULAR DEGENERATION ALDEXA THERAPEUTICS, INC. 2015-12-03 US disclosed
US-20090221655-A1 ANTIBACTERIAL AGENTS PITZER, INC. (US) 2009-09-03 US disclosed
US-20090221655-A1 ANTIBACTERIAL AGENTS PITZER, INC. (US) 2009-09-03 US disclosed
EP-2032565-A2 BENZISOXAZOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pfizer Products Inc. (US) 2009-03-11 EP disclosed
EP-1948659-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-30 EP disclosed
WO-2007088438-A2 BENZISOXAZOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PFIZER PRODUCTS INC. (US) 2007-08-09 WO disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 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 (8 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-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 ALDH1A1 1738/4885KDM4E 4688/4885HPGD 611/4885
US-20150344447-A1 NOVEL TRAPS IN THE TREATMENT OF MACULAR DEGENERATION PDE6C, PDE6D, PDE6A ALDH1A1 1526/4885KDM4E 4010/4885HPGD 1053/4885
US-11396517-B1 Exo-aza spiro inhibitors of menin-MLL interaction BMI1, MLLT1, EED ALDH1A1 2583/4885KDM4E 107/4885HPGD 2773/4885
US-20090221655-A1 ANTIBACTERIAL AGENTS OXSR1, CBR3, AOC3 ALDH1A1 2683/4885KDM4E 4079/4885HPGD 2452/4885
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC1 ALDH1A1 1738/4885KDM4E 4688/4885HPGD 611/4885
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC3 ALDH1A1 1717/4885KDM4E 4681/4885HPGD 617/4885
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, SUZ12 ALDH1A1 2840/4885KDM4E 136/4885HPGD 3118/4885
US-20200131157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC3 ALDH1A1 1717/4885KDM4E 4681/4885HPGD 617/4885

“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.