SCHEMBL2054540

SCHEMBL2054540

Cc1cnc2scnc2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
KDM4E B2RXH2 1/20 0.34
IKBKB O14920 1/20 0.34
PIK3CD O00329 1/20 0.34
CYP2A6 P11509 1/20 0.33
KAT2B Q92831 2/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL31513554 0.74 PI4KA (0.36) PIK3CDALDH1A1HSD17B10
SCHEMBL31609671 0.74 PIK3CD (0.40) KDM4EPIK3CDKMT2AALDH1A1HSD17B10
SCHEMBL1890058 0.74 PIK3CD (0.34) PIK3CDALDH1A1HSD17B10
SCHEMBL15577565 0.74 DYRK1A (0.39) PIK3CDKMT2AALDH1A1HSD17B10
SCHEMBL969038 0.74 PIK3CD (0.40) KDM4EPIK3CDKMT2AALDH1A1HSD17B10
SCHEMBL20759935 0.74 PIK3CD (0.32) PIK3CDKMT2A
SCHEMBL18180231 0.74 EGFR (0.36) KDM4EPIK3CDALDH1A1
SCHEMBL22758276 0.74 PIK3CD (0.32) PIK3CD
SCHEMBL14315734 0.70 CYP1A2 (0.54) CYP1A2CCR1CCR5CCR8NOS3
SCHEMBL24213038 0.70 TGFBR1 (0.32) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4085059-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE HK LTD (HK) 2024-03-20 EP disclosed
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-11-30 US disclosed
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2023-11-07 US disclosed
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS VANDERBILT UNIVERSITY 2023-09-28 US disclosed
EP-3419972-B1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2023-07-26 EP disclosed
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2023-04-20 US disclosed
EP-3419971-B1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-04-20 EP disclosed
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2022-01-25 US disclosed
WO-2021138694-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2021-07-08 WO disclosed
US-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-22 US disclosed
US-20090054418-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008128942-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-2008006648-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2007118130-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-18 WO disclosed
WO-2007115947-A1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-10-18 WO disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 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 (8 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-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 CYP1A2 792/4885CCR1 1108/4885CCR5 416/4885
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ABL1, ABL2, BCR CYP1A2 2919/4885CCR1 3321/4885CCR5 1288/4885
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR CYP1A2 2919/4885CCR1 3321/4885CCR5 1288/4885
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same BAX, PDCD1, PDCD4 CYP1A2 1518/4885CCR1 1438/4885CCR5 1144/4885
US-20090054418-A1 Antibacterial Agents MRPL21, ELANE, SPOUT1 CYP1A2 1752/4885CCR1 2669/4885CCR5 2137/4885
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GMPS, GNE, DHPS CYP1A2 429/4885CCR1 757/4885CCR5 156/4885
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS CHRM5, CHRM1, CHRM2 CYP1A2 500/4885CCR1 1525/4885CCR5 460/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 CYP1A2 672/4885CCR1 464/4885CCR5 743/4885

“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.