SCHEMBL9698093

SCHEMBL9698093

CCCNC1CCN(C)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MITF O75030 1/20 0.38
NCF1 P14598 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
OPRL1 P41146 4/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
KAT2B Q92831 1/20 0.33
BACE1 P56817 1/20 0.32

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
SCHEMBL20210155 1.00 MEN1 (0.38) MEN1KMT2AMITFNCF1HRH4
SCHEMBL23641956 1.00 MEN1 (0.38) MEN1KMT2AMITFNCF1HRH4
SCHEMBL17918950 0.88 KAT2B (0.36) KAT2B
SCHEMBL9699372 0.88 GNAI3 (0.41) MEN1KMT2AMITFNCF1HRH4
SCHEMBL4623536 0.87 MEN1 (0.43) MEN1KMT2AMITFNCF1DRD4
SCHEMBL24428735 0.87 MEN1 (0.32) MEN1KMT2AMITFHRH4
SCHEMBL24072425 0.85 GNAI3 (0.50)
SCHEMBL18912138 0.83
SCHEMBL14828700 0.83
SCHEMBL4709409 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021158829-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF Stingray Therapeutics, Inc. (US) 2021-08-12 WO disclosed
US-9815834-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-11-14 US disclosed
US-9567334-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-14 US disclosed
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-08-11 US disclosed
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-07-14 US disclosed
US-5109013-A 2-(2-substituted aminoethyl)-1,4-dialkyl-3,4-dihydro-1H-1,3,5]triazepino[3,2-a]benzimidazol-5(2H)-ones as muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1992-04-28 US disclosed
EP-0183129-A1 Quinolonecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-06-04 EP disclosed
US-4206144-A N,N-Dialkyl-N-aminoalkyl-N-(amino or nitro)phenylalkyl- and N-methyl-N-[3-(amino or nitro)phenoxy-2-hydroxy-1-propyl]-N,N-bis(3-aminopropyl)quaternary ammonium salts STERLING DRUG INC. (US) 1980-06-03 US disclosed
US-4146558-A Azo dyestuff intermediate nitro- or aminobenzenes ring-substituted by a quaternized amine alkyl or amino-alkoxy group STERLING DRUG INC. (US) 1979-03-27 US disclosed
US-4103092-A Water-soluble quaternary ammonium non-heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1978-07-25 US disclosed
US-4065500-A Water-soluble quaternary ammonium azo dyestuffs STERLING DRUG INC. (US) 1977-12-27 US disclosed
US-3996282-A Water-soluble quaternary ammonium dyestuffs STERLING DRUG INC. (US) 1976-12-07 US disclosed
US-3935182-A Water-soluble quaternary ammonium heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1976-01-27 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 (2 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-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 MEN1 3815/4885KMT2A 3486/4885MITF 1905/4885
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 MEN1 3815/4885KMT2A 3486/4885MITF 1905/4885

“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.