SCHEMBL3583273

SCHEMBL3583273

Cc1cnc2c(N)cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
NCF1 P14598 1/20 0.43
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HIF1A Q16665 1/20 0.41
PRMT5 O14744 1/20 0.40
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
PIK3CA P42336 1/20 0.38

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
Hydrochloric Acid SCHEMBL3577409 0.98 KDM4E (0.43) KDM4ETDP1NCF1MAPTHSD17B10
SCHEMBL3583880 0.85 KDM4E (0.49) KDM4ETDP1NCF1MAPTHSD17B10
Hydrochloric Acid SCHEMBL3581051 0.83 KDM4E (0.47) KDM4ETDP1NCF1MAPTHSD17B10
SCHEMBL8404386 0.80 PRMT5 (0.42) KDM4EMAPTALDH1A1POLBPRMT5
SCHEMBL28242358 0.78 NCF1 (0.48) KDM4ENCF1MAPTHSD17B10ALDH1A1
SCHEMBL24656310 0.78 CA2 (0.36) KDM4ETDP1NCF1MAPTALDH1A1
SCHEMBL10277395 0.77 MAPT (0.40) KDM4ENCF1MAPTHSD17B10ALDH1A1
SCHEMBL6422445 0.77 ADRA2A (0.40) KDM4EMAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1041830 0.77 ACHE (0.57) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL7449712 0.77 NR4A2 (0.42) MAPTPRMT5PARP1CYP1A2NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US claimed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP claimed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US claimed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-9556135-B2 Amino-dihydrothiazine and amino-dioxido dihydrothiazine compounds as beta-secretase antagonists and methods of use AMGEN, INC. (US) 2017-01-31 US disclosed
US-9309263-B2 Fused multi-cyclic sulfone compounds as inhibitors of beta-secretase and methods of use thereof AMGEN INC. (US) 2016-04-12 US disclosed
US-20150259308-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2015-09-17 US disclosed
US-20150252059-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF AMGEN INC (US) 2015-09-10 US disclosed
US-9096615-B2 Bridged bicyclic amino thiazine dioxide compounds as inhibitors of beta-secretase and methods of use thereof AMGEN INC. (US) 2015-08-04 US disclosed
US-20150038497-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF AMGEN INC. 2015-02-05 US disclosed
US-20140213581-A1 FUSED MULTI-CYCLIC SULFONE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF AMGEN INC. 2014-07-31 US disclosed
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
CN-1466572-A Pyrrole derivatives ס����ҩ��ʽ���� 2004-01-07 CN disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 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 (9 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 KDM4E 2031/4885TDP1 4839/4885NCF1 903/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 KDM4E 430/4885TDP1 4214/4885NCF1 1670/4885
US-20150252059-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF BACE1, BACE2, APP KDM4E 3004/4885TDP1 1158/4885NCF1 2927/4885
US-20150038497-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF BACE1, BACE2, APP KDM4E 3004/4885TDP1 1158/4885NCF1 2927/4885
US-20060189604-A1 Compounds ELANE, PIGS, SDHA KDM4E 3723/4885TDP1 3265/4885NCF1 551/4885
US-20140213581-A1 FUSED MULTI-CYCLIC SULFONE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF BACE1, BACE2, APP KDM4E 2858/4885TDP1 1286/4885NCF1 2597/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 KDM4E 477/4885TDP1 4231/4885NCF1 1583/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS KDM4E 4273/4885TDP1 3783/4885NCF1 352/4885
US-20150259308-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE BACE1, BACE2, APP KDM4E 3126/4885TDP1 854/4885NCF1 3133/4885

“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.