SCHEMBL2658300

SCHEMBL2658300

CC(C)(Sc1cnc(NC(=O)N(CCOCc2ccccc2OC(F)F)[C@H]2CC[C@H](C)CC2)s1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ MAP3K7 O43318 5/20 0.33
▸ TAB1 Q15750 5/20 0.33
▸ CCNE1 P24864 7/20 0.32
▸ CDK2 P24941 7/20 0.32
▸ CCNE2 O96020 6/20 0.32
▸ ALKBH1 Q13686 1/20 0.32
▸ CDK4 P11802 3/20 0.31
▸ CCND1 P24385 3/20 0.31
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ CDK5 Q00535 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
SCHEMBL2658302 1.00 ADORA2A (0.33) ADORA2AADORA1MAP3K7TAB1CCNE1
SCHEMBL10154355 0.90 CDK2 (0.34) ADORA2AADORA1MAP3K7TAB1CCNE1
SCHEMBL2658203 0.90 PLK1 (0.36) ADORA2AADORA1CCNE1CDK2CCNE2
SCHEMBL2658201 0.90 PLK1 (0.36) ADORA2AADORA1CCNE1CDK2CCNE2
SCHEMBL1238734 0.90 ADORA2A (0.35) ADORA2AADORA1CCNE1CDK2CCNE2
SCHEMBL2657326 0.89 CDK2 (0.36) ADORA2AADORA1CCNE1CDK2CCNE2
SCHEMBL2657324 0.89 CDK2 (0.36) ADORA2AADORA1CCNE1CDK2CCNE2
SCHEMBL1240556 0.88 ADORA2A (0.35) ADORA2AADORA1CCNE1CDK2CCNE2
SCHEMBL2659010 0.87 CCNE1 (0.41) ADORA2AADORA1CCNE1CDK2CCNE2
SCHEMBL2659007 0.87 CCNE1 (0.41) ADORA2AADORA1CCNE1CDK2CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 — — US claimed
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 — — US disclosed
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 — — US disclosed
US-8318778-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-11-27 — — US disclosed
US-8318778-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-11-27 — — US disclosed
US-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 — — US disclosed
US-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 — — US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 — — US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 — — US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 — — US disclosed
EP-2099777-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2009-09-16 — — EP disclosed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 — — WO disclosed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 — — 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 (2 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-20100041711-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ADORA2A 1163/4885ADORA1 2103/4885MAP3K7 183/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ADORA2A 1163/4885ADORA1 2103/4885MAP3K7 183/4885

“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.

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