SCHEMBL4500031

SCHEMBL4500031

c1cn(C2CCNC2)nn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.36
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL13326794 1.00 HCAR2 (0.36) HCAR2MEN1ALDH1A1MAPTPKM
SCHEMBL9551484 1.00 HCAR2 (0.36) HCAR2MEN1ALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL8120037 0.98 HCAR2 (0.35) HCAR2MEN1ALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL8130973 0.98 HCAR2 (0.35) HCAR2MEN1ALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL8131080 0.98 HCAR2 (0.35) HCAR2MEN1ALDH1A1MAPTPKM
SCHEMBL9293732 0.89 HCAR2 (0.38) HCAR2EPHX1EPHX2
SCHEMBL3480723 0.88 MEN1 (0.38) HCAR2MEN1ALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL9293025 0.87 HCAR2 (0.37) HCAR2
Hydrochloric Acid SCHEMBL3863568 0.86 HCAR2 (0.37) HCAR2MEN1ALDH1A1MAPTPKM
Trifluoroacetic Acid SCHEMBL31436674 0.85 HCAR2 (0.42) HCAR2EPHX1EPHX2KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025051829-A1 NEW PROP-2-YNAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-03-13 WO disclosed
WO-2022169755-A1 SULFONAMIDE SUBSTITUTED N-(1H-INDOL-7-YL) BENZENESULFONAMIDES AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2022-08-11 WO disclosed
CN-110392833-A The method for treating nervous disorders 优曼尼蒂治疗公司 2019-10-29 CN disclosed
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 US disclosed
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 US disclosed
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 US disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
CN-1137273-A Quinolizinone type compounds ABBOTT LAB (US) 1996-12-04 CN disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed
US-5342846-A 7-substituted-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid compounds and 7-(substituted triazolyl pyrrolidin-1-yl) 4-oxoquinoline-3-carboxylic acid derivatives useful as antibacterial agents SYNPHAR LABORATORIES, INC. (CA) 1994-08-30 US disclosed
WO-1993024481-A1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS AND RELATED COMPOUNDS AS ANTIBACTERIAL AGENTS SYNPHAR LABORATORIES, INC. (CA) 1993-12-09 WO disclosed
EP-0561850-A1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS SYNPHAR LABORATORIES INC. (CA) 1993-09-29 EP disclosed
WO-1992010492-A1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS SYNPHAR LABORATORIES, INC. (CA) 1992-06-25 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 (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-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS CBR3, CBR1, TECR HCAR2 13/4885MEN1 4040/4885ALDH1A1 1998/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS HCAR2 1127/4885MEN1 3666/4885ALDH1A1 2203/4885

“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.