SCHEMBL4046994

SCHEMBL4046994

CCc1nc2nccnc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
ADORA3 P0DMS8 4/20 0.38
ADORA2A P29274 3/20 0.38
DDAH1 O94760 1/20 0.37
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
EGLN1 Q9GZT9 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ENPP1 P22413 1/20 0.32
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CDK1 P06493 2/20 0.31
CDK2 P24941 2/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
AURKA O14965 2/20 0.30
MAP4K4 O95819 2/20 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
SCHEMBL4052252 0.84 KDM4C (0.41) ADORA1METAP2METAP1ADORA3ADORA2A
SCHEMBL4051241 0.81 PI4KA (0.45) CDK1CDK2CCNB1CCNA2MAPK8
SCHEMBL4052403 0.80 METAP2 (0.36) METAP2METAP1EGLN1
SCHEMBL4046923 0.80 PI4KA (0.51) CDK1CCNB1GSK3AGSK3B
SCHEMBL4053441 0.79 ADORA3 (0.40) ADORA1METAP2METAP1ADORA3ADORA2A
SCHEMBL4044137 0.78 PDE9A (0.38) METAP2METAP1
SCHEMBL4047518 0.76 METAP2 (0.33) METAP2METAP1
SCHEMBL4053122 0.73 GPR84 (0.47) METAP2METAP1
SCHEMBL3817859 0.73 TNKS2 (0.44) ADORA1ADORA3ADORA2ATNKS2SMN1; SMN2
SCHEMBL4047661 0.73 PBK (0.42) METAP2METAP1CDK1CCNB1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
WO-2017064675-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH, INC. (US) 2017-04-20 WO disclosed
US-8017605-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2011-09-13 US disclosed
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS SAHOO SOUMYA P 2011-05-05 US disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 US 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 (4 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-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 ADORA1 1831/4885METAP2 2523/4885METAP1 1458/4885
US-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY ADORA1 4186/4885METAP2 2321/4885METAP1 2115/4885
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS MAPK1, MAP3K8, MAPK8 ADORA1 2503/4885METAP2 1493/4885METAP1 1009/4885
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY ADORA1 4186/4885METAP2 2321/4885METAP1 2115/4885

“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.