SCHEMBL22288192

SCHEMBL22288192

c1cnc2cc(C3CCCC3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
NR4A2 P43354 1/20 0.49
BACE1 P56817 1/20 0.47
CHRNA7 P36544 1/20 0.43
CYP11B2 P19099 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
GSK3B P49841 1/20 0.42
IDO1 P14902 1/20 0.41
ABL1 P00519 1/20 0.40

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
SCHEMBL4971125 0.98 BACE1 (0.50) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL31121067 0.93 ALDH1A1 (0.52) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL3515288 0.93 ALDH1A1 (0.52) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL17672031 0.86 BACE1 (0.55) ALDH1A1CASP1HTTBACE1CHRNA7
SCHEMBL15534906 0.85 QDPR (0.46) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL11460811 0.85 BACE1 (0.58) ALDH1A1CASP1HTTBACE1CHRNA7
SCHEMBL31087555 0.85 BACE1 (0.58) ALDH1A1CASP1HTTBACE1CHRNA7
SCHEMBL22857367 0.84 DDB1 (0.48) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL24870695 0.82 CHRNA7 (0.42) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL28712870 0.82 ALDH1A1 (0.41) ALDH1A1MEN1CASP1CASP7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4083031-B1 QUINOLINE COMPOUND AND APPLICATION THEREOF AS FGFR4 KINASE INHIBITOR SKYRUN PHARMA CO LTD (CN) 2026-04-22 EP disclosed
US-20230014962-A1 Quinoline compound and use thereof SKYRUN PHARMA CO LTD (CN) 2023-01-19 US disclosed
EP-4083031-A1 QUINOLINE COMPOUND AND APPLICATION THEREOF Skyrun Pharma Co., Ltd. (CN) 2022-11-02 EP disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
CN-1054845-C Quinoline compounds NOVARTIS AG (CH) 2000-07-26 CN disclosed
CN-1105991-A Quinoline compounds CIBA GEIGY AG (CH) 1995-08-02 CN 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 (1 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-20230014962-A1 Quinoline compound and use thereof FGFR4, FGFR1, FGFR3 ALDH1A1 1995/4885MEN1 2636/4885CASP1 2829/4885

“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.