SCHEMBL586416

SCHEMBL586416

O=c1nnc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAUR Q03405 1/20 0.47
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 6/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
HSD17B10 Q99714 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ABCB11 O95342 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MASP2 O00187 1/20 0.43
NUDT1 P36639 1/20 0.43
AOC3 Q16853 1/20 0.43
BTK Q06187 1/20 0.43
KHK P50053 1/20 0.43
PDGFRB P09619 2/20 0.42
FGFR1 P11362 2/20 0.42

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
SCHEMBL2260824 0.92 AURKA (0.42) PLAURKDM4EALDH1A1RAB9ANPC1
SCHEMBL11150161 0.73 ALDH1A1 (0.50) PLAURKDM4EALDH1A1RAB9ANPC1
SCHEMBL11150961 0.72 ALDH1A1 (0.42) PLAURKDM4EALDH1A1RAB9ANPC1
SCHEMBL1624786 0.68 NUDT1 (0.48) KDM4ENUDT1FGFR1AURKACDK9
SCHEMBL3860291 0.67 NPC1 (0.49) KDM4EALDH1A1RAB9ANPC1HSD17B10
SCHEMBL11841393 0.67 MAPT (0.45) PLAURKDM4ERAB9ANPC1HSD17B10
SCHEMBL37862 0.67 ALDH1A1 (0.59) PLAURKDM4EALDH1A1RAB9ANPC1
SCHEMBL29396007 0.67 ALDH1A1 (0.59) PLAURKDM4EALDH1A1RAB9ANPC1
SCHEMBL5477868 0.65 MAPT (0.53) PLAURKDM4EALDH1A1RAB9ANPC1
SCHEMBL11129386 0.65 ALDH1A1 (0.57) PLAURKDM4EALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021188055-A1 MODULATION OF CXCR3 CHEMOKINE SIGNALLING FOR OSTEOPOROSIS THERAPY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2021-09-23 WO claimed
CN-112679423-A Amination reagent and synthesis method and application thereof 中南大学 2021-04-20 CN claimed
US-11739071-B2 Quinazolinones and azaquinazolinones as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2023-08-29 US disclosed
CN-110022881-B Inhibitors of CD 73-mediated immunosuppression 艾库斯生物科学有限公司 2023-05-02 CN disclosed
EP-3746432-B1 4-HYDROXYPIPERIDINE DERIVATIVES AND THEIR USE AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) ALMAC DISCOVERY LTD (GB) 2022-12-14 EP disclosed
US-20220125760-A1 USE OF USP7 INHIBITORS FOR THE TREATMENT OF ACUTE MYELOID LEUKEMIA (AML) UNIVERSITÉ PAUL SABATIER TOULOUSE III (FR) 2022-04-28 US disclosed
CN-112679423-B Amination reagent and synthesis method and application thereof 中南大学 2022-04-26 CN disclosed
CN-112679423-B Amination reagent and synthesis method and application thereof 中南大学 2022-04-26 CN disclosed
CN-113461686-B Fluorescent probe, preparation method and application thereof, and fluorescent probe solution 中国农业大学 2022-03-29 CN disclosed
EP-3923987-A1 USE OF USP7 INHIBITORS FOR THE TREATMENT OF ACUTE MYELOID LEUKEMIA (AML) Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2021-12-22 EP disclosed
WO-2021188055-A1 MODULATION OF CXCR3 CHEMOKINE SIGNALLING FOR OSTEOPOROSIS THERAPY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2021-09-23 WO disclosed
WO-2005065183-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-07-21 WO disclosed
EP-1517904-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-03-30 EP disclosed
EP-1517904-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-03-30 EP disclosed
WO-2004039774-A3 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2004-07-01 WO disclosed
WO-2004039774-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2004-05-13 WO disclosed
WO-2004039774-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2004-05-13 WO disclosed
WO-2001010860-A2 QUINAZOLINONE AND AZAQUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-02-15 WO disclosed
US-5424311-A A viricides for treating viral diseases; HIV enzyme inhibitor HOESCHST AKTIENGESELLSCHAFT (DE) 1995-06-13 US disclosed
US-4000275-A BENZIMIDAZO(2,1-B) QUINAZOLIN-12(6H)ONES ELI LILLY AND COMPANY (US) 1976-12-28 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 (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-11739071-B2 Quinazolinones and azaquinazolinones as ubiquitin-specific protease 7 inhibitors USP7, UBQLN1, UBA7 PLAUR 2687/4885KDM4E 360/4885ALDH1A1 2483/4885

“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.