SCHEMBL4043723

SCHEMBL4043723

CC(C)c1nc2nccnc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2B P29275 1/20 0.36
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
GSK3B P49841 3/20 0.34
EGLN1 Q9GZT9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CDK1 P06493 3/20 0.33
CCNB1 P14635 3/20 0.33
CCNB2 O95067 2/20 0.33
GSK3A P49840 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33

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
SCHEMBL4048086 0.84 METAP2 (0.39) METAP2METAP1EGLN1
SCHEMBL4048043 0.81 METAP2 (0.37) METAP2METAP1EGLN1
SCHEMBL4054698 0.79 ADORA3 (0.40) METAP2METAP1ADORA3ADORA2AADORA1
SCHEMBL4046285 0.78 GPR84 (0.35) METAP2METAP1KDM4E
SCHEMBL4047016 0.76 METAP2 (0.33) METAP2METAP1
SCHEMBL4047234 0.76 GPR84 (0.43) METAP2METAP1GSK3BALDH1A1CDK1
SCHEMBL13905132 0.76 METAP2 (0.33) METAP2METAP1
SCHEMBL24802846 0.75 NR3C1 (0.31)
SCHEMBL16691773 0.75 ADORA3 (0.33) ADORA3ADORA2AADORA1ADORA2BKDM4E
SCHEMBL15457352 0.73 GSK3B (0.37) ADORA3ADORA2AADORA1ADORA2BKDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411404-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
US-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO disclosed
US-20140323722-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-10-30 US disclosed
US-8754113-B2 Oxadiazole derivative having endothelial lipase inhibitory activity SHIONOGI & CO., LTD. (JP) 2014-06-17 US disclosed
US-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. 2012-12-27 US disclosed
US-20120253040-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-10-04 US disclosed
US-20120253040-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-10-04 US disclosed
WO-2009029592-A1 HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed
WO-2009029592-A1 HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 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 (7 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT METAP2 1485/4885METAP1 1280/4885ADORA3 4145/4885
US-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE HCCS, EIF2AK2, RNGTT METAP2 466/4885METAP1 128/4885ADORA3 4408/4885
US-20120253040-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY LIPG, LPL, CEL METAP2 3145/4885METAP1 2507/4885ADORA3 1464/4885
US-20220411404-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 METAP2 1616/4885METAP1 1459/4885ADORA3 1722/4885
US-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY METAP2 2321/4885METAP1 2115/4885ADORA3 3833/4885
US-20140323722-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY LIPG, CEL, LPL METAP2 2490/4885METAP1 2169/4885ADORA3 1312/4885
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY METAP2 2321/4885METAP1 2115/4885ADORA3 3833/4885

“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.