SCHEMBL30837

SCHEMBL30837

NC(=O)c1cc2ccccc2nc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 1.00
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 6/20 0.53
GAA P10253 4/20 0.53
HPGD P15428 3/20 0.53
GLA P06280 2/20 0.53
GALR3 O60755 1/20 0.52
NR2F2 P24468 1/20 0.52
TLR8 Q9NR97 4/20 0.47
MAPT P10636 2/20 0.45
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RCE1 Q9Y256 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PARP1 P09874 1/20 0.43
IDO1 P14902 1/20 0.43
HTR3A P46098 1/20 0.43

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
SCHEMBL31060123 1.00 IKBKB (1.00) IKBKBALDH1A1KDM4EGAAHPGD
SCHEMBL5195648 0.85 IKBKB (0.74) IKBKBALDH1A1KDM4EGAAHPGD
SCHEMBL30972572 0.85 IKBKB (0.74) IKBKBALDH1A1KDM4EGAAHPGD
SCHEMBL29538 0.81 IKBKB (0.69) IKBKBALDH1A1KDM4EGAAHPGD
SCHEMBL2099350 0.81 IKBKB (0.69) IKBKBALDH1A1KDM4EGAAHPGD
SCHEMBL28239861 0.81 IKBKB (0.68) IKBKBALDH1A1KDM4EGAAGLA
SCHEMBL31301 0.80 IKBKB (0.67) IKBKBALDH1A1KDM4EGAAHPGD
SCHEMBL22388 0.80 IKBKB (0.67) IKBKBALDH1A1KDM4EGAAHPGD
SCHEMBL7673682 0.80 IKBKB (0.67) IKBKBALDH1A1KDM4EGAAHPGD
SCHEMBL1723156 0.80 IKBKB (0.67) IKBKBALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS UNIVERSITY OF KANSAS (US) 2022-01-06 US disclosed
US-11130736-B2 Human TLR8-selective agonists UNIVERSITY OF KANSAS (US) 2021-09-28 US disclosed
EP-3337481-B1 QUINOLINE-2-AMINE DERIVATIVES AS HUMAN TLR8-SELECTIVE AGONISTS FOR INCREASING IMMUNE RESPONSE UNIV KANSAS (US) 2020-11-11 EP disclosed
CN-106699755-B A kind of aza-acridine class compound and preparation method thereof and purposes 清华大学深圳研究生院 2018-09-21 CN disclosed
US-20180258045-A1 HUMAN TLR8-SELECTIVE AGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-09-13 US disclosed
EP-3337481-A1 HUMAN TLR8-SELECTIVE AGONISTS The University of Kansas (US) 2018-06-27 EP disclosed
CN-106699755-A Aza-acridine compound and preparation method and application thereof 清华大学深圳研究生院 2017-05-24 CN disclosed
CN-106699755-A Aza-acridine compound and preparation method and application thereof 清华大学深圳研究生院 2017-05-24 CN disclosed
WO-2017034986-A1 HUMAN TLR8-SELECTIVE AGONISTS UNIVERSITY OF KANSAS (US) 2017-03-02 WO disclosed
EP-1968944-B1 ALKYLSULPHONAMIDE QUINOLINES ASTRAZENECA AB (SE) 2016-04-20 EP disclosed
WO-2000064877-A1 2-AMINOQUINOLINECARBOXAMIDES: NEUROKININ RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-11-02 WO disclosed
US-5908930-A 5,10-dihydropyrimdo 4,5-b!quinolin-4(1H)-one tyrosine kinase inhibitors PFIZER INC. (US) 1999-06-01 US disclosed
CN-1169986-A 2.9-diamino-and 2-amino-8-carbamoyl-4-hydroxy-aldanoic acid amide derivatives CIBA GEIGY AG (CH) 1998-01-14 CN disclosed
WO-1996028444-A1 5,10-DIHYDROPYRIMIDO[4,5-b]QUINOLIN-4(1H)-ONE TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1996-09-19 WO disclosed
US-5442070-A Derivatives of fluoro-quinoline carboxylic-3-acid and preparation therefor LABORATOIRE ROGER BELLON (FR) 1995-08-15 US disclosed
US-4134981-A ANTIALLERGENS PFIZER INC. (US) 1979-01-16 US disclosed
US-4120962-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1978-10-17 US disclosed
US-4044134-A FUSED WITH QUINOLINE OR PYRIDINE, 2-METHYL, ETHYL, OR ACETYL GROUP PFIZER INC. (US) 1977-08-23 US disclosed
US-4011324-A Esters and amides of pyrimido[4,5-b]quinolin-4(3H)-one-2-carboxylic acids as antiulcer agents PFIZER INC. (US) 1977-03-08 US disclosed
US-3974161-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1976-08-10 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 (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-11130736-B2 Human TLR8-selective agonists TLR7, TLR8, TLR9 IKBKB 1385/4885ALDH1A1 4003/4885KDM4E 2507/4885
US-20180258045-A1 HUMAN TLR8-SELECTIVE AGONISTS TLR7, TLR8, TLR9 IKBKB 1385/4885ALDH1A1 4003/4885KDM4E 2507/4885
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS TLR7, TLR8, TLR9 IKBKB 1385/4885ALDH1A1 4003/4885KDM4E 2507/4885

“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.