SCHEMBL21796409

SCHEMBL21796409

COc1cc(CN=[N+]=[N-])ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CA2 P00918 1/20 0.38
▸ TTR P02766 1/20 0.37
▸ HTR1A P08908 3/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ HTR2B P41595 3/20 0.35
▸ HTR1D P28221 2/20 0.35

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
SCHEMBL27845650 0.87 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL23070508 0.85 CA2 (0.55) SMN1; SMN2ALDH1A1POLBCA2LMNA
SCHEMBL17913311 0.81 ALDH1A1 (0.39) ALDH1A1POLBMAPK1CA2GAA
SCHEMBL30613375 0.79 IDO1 (0.47) SMN1; SMN2POLB
SCHEMBL13845056 0.79 IDO1 (0.47) SMN1; SMN2POLB
SCHEMBL14294477 0.78 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MAPTHPGDCYP2C19
SCHEMBL18986802 0.77 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL18519766 0.77 AR (0.46) ALDH1A1USP2KDM4E
SCHEMBL19231652 0.76 PTGS2 (0.52) ALDH1A1MAPTHTR2CHTR2BHTR2A
SCHEMBL14270204 0.76 TTR (0.45) SMN1; SMN2ALDH1A1MAPTL3MBTL1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261189-B2 Substituted 2,4 diamino-quinoline as new medicament for fibrosis, autophagy and cathepsins B (CTSB), L (CTSL) and D (CTSD) related diseases GENOSCIENCE PHARMA (FR) 2022-03-01 — — US disclosed
EP-3846814-A1 SUBSTITUTED 2,4 DIAMINO-QUINOLINE AS NEW MEDICAMENT FOR FIBROSIS, AUTOPHAGY AND CATHEPSINS B (CTSB), L (CTSL) AND D (CTSD) RELATED DISEASES Genoscience Pharma (FR) 2021-07-14 — — EP disclosed
CN-112912081-A Substituted 2, 4-diamino-quinolines as novel agents for fibrosis, autophagy and cathepsin B (CTSB), L (CTSL) and D (CTSD) related diseases 基因科学医药公司 2021-06-04 — — CN disclosed
US-20200079781-A1 Substituted 2,4 diamino-quinoline as new medicament for fibrosis, autophagy and cathepsins B (CTSB), L (CTSL) and D (CTSD) related diseases GENOSCIENCE PHARMA (FR) 2020-03-12 — — US disclosed
EP-3620164-A1 SUBSTITUTED 2,4 DIAMINO-QUINOLINE AS NEW MEDICAMENT FOR FIBROSIS, AUTOPHAGY AND CATHEPSINS B (CTSB), L (CTSL) AND D (CTSD) RELATED DISEASES Genoscience Pharma SAS (FR) 2020-03-11 — — EP 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-20200079781-A1 Substituted 2,4 diamino-quinoline as new medicament for fibrosis, autophagy and cathepsins B (CTSB), L (CTSL) and D (CTSD) related diseases CTSB, CTSD, CTSA SMN1; SMN2 4654/4885ALDH1A1 2635/4885MAPT 1642/4885
US-11261189-B2 Substituted 2,4 diamino-quinoline as new medicament for fibrosis, autophagy and cathepsins B (CTSB), L (CTSL) and D (CTSD) related diseases CTSB, CTSD, CTSA SMN1; SMN2 4654/4885ALDH1A1 2635/4885MAPT 1642/4885

“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.

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