SCHEMBL229311

SCHEMBL229311

c1ccc(CNc2ccccn2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.68
CYP1A2 P05177 1/20 0.67
MAOA P21397 3/20 0.66
MAOB P27338 3/20 0.66
FABP1 P07148 1/20 0.66
FABP6 P51161 1/20 0.66
NPC1 O15118 5/20 0.62
RAB9A P51151 4/20 0.62
KDM4E B2RXH2 3/20 0.62
HPGD P15428 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TP53 P04637 2/20 0.62
HTT P42858 1/20 0.62
HSD17B10 Q99714 1/20 0.62
ALDH1A1 P00352 2/20 0.58
APP P05067 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 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
SCHEMBL30487250 1.00 CXCR4 (0.68) CXCR4CYP1A2MAOAMAOBFABP1
SCHEMBL3955545 0.83 ALDH1A1 (0.65) CXCR4CYP1A2MAOAMAOBFABP1
SCHEMBL1244338 0.83 MAOA (0.70) CYP1A2MAOAMAOBNPC1RAB9A
SCHEMBL29351380 0.81 CXCR4 (1.00) CXCR4CYP1A2FABP1FABP6NPC1
SCHEMBL589266 0.81 CXCR4 (1.00) CXCR4CYP1A2FABP1FABP6NPC1
SCHEMBL29846220 0.81 MAOA (0.68) CYP1A2MAOAMAOBNPC1RAB9A
SCHEMBL23938004 0.81 NPC1 (0.62) CXCR4CYP1A2MAOAMAOBFABP1
SCHEMBL4777942 0.81 MAOA (0.53) CXCR4CYP1A2MAOAMAOBFABP1
SCHEMBL15830499 0.81 NOS2 (0.67) CYP1A2MAOAMAOBNPC1RAB9A
SCHEMBL1108639 0.81 NPC1 (0.62) CXCR4CYP1A2MAOAMAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110563640-B Dehydroabietyl pyridine amide compound and preparation method and application thereof 南京林业大学 2021-03-12 CN claimed
CN-110563640-A Dehydroabietyl pyridine amide compound and preparation method and application thereof 南京林业大学 2019-12-13 CN claimed
US-8182718-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2012-05-22 US claimed
CN-116606292-A Pyrido [1,2-a ] pyrimidinone derivatives containing sulfonamide unit, preparation method and application thereof 贵州大学 2023-08-18 CN disclosed
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
CN-114380822-A CDKs inhibitor of beta-carboline mother nucleus, preparation method and anti-tumor application thereof 中国人民解放军北部战区总医院 2022-04-22 CN disclosed
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 US disclosed
EP-3856726-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITOR, COMPOSITIONS, METHODS OF MAKING THEM AND THEIR USE Black Diamond Therapeutics, Inc. (US) 2021-08-04 EP disclosed
CN-110563640-B Dehydroabietyl pyridine amide compound and preparation method and application thereof 南京林业大学 2021-03-12 CN disclosed
CN-110563640-B Dehydroabietyl pyridine amide compound and preparation method and application thereof 南京林业大学 2021-03-12 CN disclosed
WO-2020068867-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITOR, COMPOSITIONS, METHODS OF MAKING THEM AND THEIR USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2020-04-02 WO disclosed
US-7538931-B2 Ligand exchange thermochromic systems containing exchange metals PLEOTINT, L.L.C. (US) 2009-05-26 US disclosed
US-7525717-B2 reversible; laminated; transition metal ion coordinated with a high epsilon ligand and a low epsilon ligand; polymer; separator; variable light transmission windows; polyvinyl butyral; nickel or cobalt iodide ligands; diol, triol or polyol ligands PLEOTINT, L.L.C. (US) 2009-04-28 US disclosed
US-20080105851-A1 Exhibiting a reversible change in absorbance of electromagnetic radiation as the temperature of the system is reversibly changed; comprising a transition metal ion and a ligand PLEOTINT, LLC (US) 2008-05-08 US disclosed
US-20080106781-A1 LIGAND EXCHANGE THERMOCHROMIC SYSTEMS CONTAINING EXCHANGE METALS PLEOTINT, LLC (US) 2008-05-08 US disclosed
US-20080100902-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2008-05-01 US disclosed
US-20080100903-A1 MULTI-LAYER LIGAND EXCHANGE THERMOCHROMIC SYSTEMS PLEOTINT, LLC (US) 2008-05-01 US disclosed
WO-2008028128-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, L.L.C. (US) 2008-03-06 WO disclosed
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 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 (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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 CXCR4 4839/4885CYP1A2 2136/4885MAOA 2243/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 CXCR4 4839/4885CYP1A2 2136/4885MAOA 2243/4885
US-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 CXCR4 1173/4885CYP1A2 1021/4885MAOA 1183/4885

“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.