SCHEMBL8722263

SCHEMBL8722263

NNCc1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.64
▸ ALOX12 P18054 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.62
▸ TAAR1 Q96RJ0 3/20 0.59
▸ SLC6A4 P31645 3/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ SLC6A2 P23975 2/20 0.54
▸ SLC6A3 Q01959 2/20 0.54
▸ DPP7 Q9UHL4 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL31040515 1.00 GAA (0.64) GAAALOX12ALDH1A1TAAR1SLC6A4
SCHEMBL109279 0.84 ALDH1A1 (0.67) GAAALOX12ALDH1A1TAAR1SMN1; SMN2
SCHEMBL25990229 0.82 ALDH1A1 (0.64) GAAALOX12ALDH1A1TAAR1SLC6A4
SCHEMBL30128732 0.81 ALDH1A1 (0.67) GAAALOX12ALDH1A1TAAR1SMN1; SMN2
SCHEMBL1254037 0.81 ALDH1A1 (0.62) GAAALOX12ALDH1A1TAAR1SLC6A4
SCHEMBL6895229 0.81 ALDH1A1 (0.62) GAAALOX12ALDH1A1TAAR1SLC6A4
SCHEMBL5944219 0.81 ALDH1A1 (0.62) GAAALOX12ALDH1A1TAAR1SLC6A4
SCHEMBL7732926 0.81 ALDH1A1 (0.67) GAAALOX12ALDH1A1TAAR1SMN1; SMN2
SCHEMBL354060 0.81 ALDH1A1 (0.62) GAAALOX12ALDH1A1TAAR1SLC6A4
SCHEMBL14612437 0.81 ALDH1A1 (0.62) GAAALOX12ALDH1A1TAAR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989131-B N' - (2- (benzo [1,3] dioxolan-5-yl) acyl) aryl hydrazide compound as well as synthesis and application thereof 云南大学 2023-10-24 — — CN claimed
CN-118344307-A Compound combined with alpha-synuclein and preparation method and application thereof 江苏省原子医学研究所 2024-07-16 — — CN disclosed
CN-114989131-B N' - (2- (benzo [1,3] dioxolan-5-yl) acyl) aryl hydrazide compound as well as synthesis and application thereof 云南大学 2023-10-24 — — CN disclosed
US-20210300935-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences, S.R.L. (IT) 2021-09-30 — — US disclosed
US-20190194214-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-06-27 — — US disclosed
US-10280176-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-05-07 — — US disclosed
US-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-07-06 — — US disclosed
US-9637497-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors Nerviano Medical Sciences, S.R.L. (IT) 2017-05-02 — — US disclosed
US-20170050972-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-02-23 — — US disclosed
WO-1998027091-A1 ENDOTHELIN RECEPTOR ANTAGONISTS AS PESTICIDES MERCK PATENT GMBH (DE) 1998-06-25 — — WO disclosed
WO-1996012706-A1 NOVEL ACID PYRAZOLE AND PYRAZOLONE DERIVATIVES FOR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ROUSSEL UCLAF (FR) 1996-05-02 — — WO disclosed
US-4076943-A DIURETICS, SALURETICS, ANTIHYPERTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-02-28 — — US disclosed
US-4061653-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1977-12-06 — — US disclosed
US-3950528-A HYPOTENSIVE AGENTS, SALURETICS, DIURETICS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 — — 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 (5 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-20210300935-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 GAA 1415/4885ALOX12 4781/4885ALDH1A1 3081/4885
US-20190194214-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 GAA 1416/4885ALOX12 4786/4885ALDH1A1 3106/4885
US-10280176-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors MAP3K5, MAP3K9, MAP4K2 GAA 1416/4885ALOX12 4786/4885ALDH1A1 3106/4885
US-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 GAA 1416/4885ALOX12 4786/4885ALDH1A1 3106/4885
US-20170050972-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 GAA 1416/4885ALOX12 4786/4885ALDH1A1 3106/4885

“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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