SCHEMBL967038

SCHEMBL967038

COC(=O)c1nc(Br)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.43
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
CKS1B P61024 2/20 0.43
SKP2 Q13309 2/20 0.43
PKM P14618 1/20 0.43
COMT P21964 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.40
GAA P10253 2/20 0.40
GFER P55789 1/20 0.40
AGTR1 P30556 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7258042 0.90 TDP1 (0.46) TDP1KMT2AMEN1CKS1BSKP2
SCHEMBL13812899 0.89 TDP1 (0.45) TDP1KMT2AMEN1CKS1BSKP2
SCHEMBL14313470 0.88 TDP1 (0.44) TDP1KMT2AMEN1CKS1BSKP2
SCHEMBL14287858 0.87 TDP1 (0.40) TDP1KMT2AMEN1CKS1BSKP2
SCHEMBL14313454 0.85 TDP1 (0.42) TDP1KMT2AMEN1CKS1BSKP2
SCHEMBL4769364 0.83 TDP1 (0.40) TDP1KMT2AMEN1CKS1BSKP2
SCHEMBL6383507 0.82 ALDH1A1 (0.42) KMT2AALDH1A1MAPTHPGD
SCHEMBL14435147 0.82 COMT (0.42) TDP1KMT2AMEN1CKS1BSKP2
SCHEMBL969790 0.81 KDM4E (0.47) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL4762067 0.81 KMT2A (0.39) TDP1KMT2AMEN1CKS1BSKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103709162-B Tri-substituted imidazole benzodiazine ketonic compound and its production and use 中国科学院上海药物研究所 2016-12-07 CN disclosed
EP-2675803-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS Elanco Animal Health Ireland Limited (IE) 2013-12-25 EP disclosed
EP-2488521-B1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND (IE) 2013-12-18 EP disclosed
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-11-07 US disclosed
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-11-07 US disclosed
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-11-07 US disclosed
US-8497270-B2 Macrocyclic integrase inhibitors ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-07-30 US disclosed
US-8497270-B2 Macrocyclic integrase inhibitors ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-07-30 US disclosed
WO-2012112345-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-08-23 WO disclosed
EP-2488521-A1 MACROCYCLIC INTEGRASE INHIBITORS Elanco Animal Health Ireland Limited (IE) 2012-08-22 EP disclosed
WO-2003077857-A2 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-09-25 WO disclosed
WO-2003077850-A2 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-09-25 WO disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
US-20030119823-A1 Sodium salt of an HIV integrase inhibitor MERCK & CO., INC. 2003-06-26 US disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US disclosed
WO-2003016309-A1 PROCESS FOR PREPARING 5-SULFONAMIDO-8-HYDROXY-1, 6-NAPHTHYRIDINE-7-CARBOXAMIDES MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2003016315-A1 SODIUM SALT OF AN HIV INTEGRASE INHIBITOR MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2003016294-A1 PROCESS FOR PREPARING SULTAMS MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2002030931-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 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-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS FIP1L1, PIM1, TYMP TDP1 618/4885KMT2A 1131/4885MEN1 4526/4885
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA TDP1 667/4885KMT2A 61/4885MEN1 3824/4885
US-20030119823-A1 Sodium salt of an HIV integrase inhibitor IMPA1, IMPDH1, SLC28A1 TDP1 116/4885KMT2A 195/4885MEN1 3739/4885

“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.