SCHEMBL4750336

SCHEMBL4750336

CC(C)NCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.50
MAOB P27338 4/20 0.48
OGA O60502 1/20 0.47
HEXA P06865 1/20 0.47
HEXB P07686 1/20 0.47
CASP3 P42574 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL30793979 0.89 GLS (0.50) GLSMAOBOGAHEXAHEXB
SCHEMBL10681723 0.82 CES1 (0.65) MAOBALDH1A1
SCHEMBL8489619 0.82 CA12 (0.47) CASP3
SCHEMBL12612148 0.81 RPS6KA2 (0.54) GLSCASP3ALDH1A1
SCHEMBL3186901 0.80 KMT2A (0.48) MAOBCASP3ALDH1A1
SCHEMBL3186877 0.80 KMT2A (0.48) MAOBCASP3ALDH1A1
SCHEMBL4388842 0.79 GLS (0.55) GLSOGAHEXAHEXB
SCHEMBL30839867 0.79 GLS (0.55) GLSOGAHEXAHEXB
SCHEMBL805142 0.79 OGA (0.70) GLSOGAHEXAHEXBCASP3
SCHEMBL5049343 0.79 ALDH1A1 (0.48) GLSMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 EP disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 US disclosed
WO-2019164122-A1 XANTHENE-BASED COMPOUND, COLORANT COMPOSITION, PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE MATERIAL, COLOR FILTER, AND DISPLAY DEVICE 주식회사 엘지화학 2019-08-29 WO disclosed
US-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1966210-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2007071393-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2007-06-28 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 (3 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-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors GRK4, JAK2, ALK GLS 241/4885MAOB 3308/4885OGA 2519/4885
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR GLS 875/4885MAOB 2363/4885OGA 4691/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR GLS 875/4885MAOB 2363/4885OGA 4691/4885

“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.