SCHEMBL361792

SCHEMBL361792

CC(C)(C)OC(=O)N1CC(O)C(O)c2nc(-c3ccccc3)c(-c3ccccc3)nc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 4/20 0.45
▸ SKP1 P63208 4/20 0.45
▸ SKP2 Q13309 4/20 0.45
▸ USP30 Q70CQ3 9/20 0.38
▸ GBA1 P04062 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.36
▸ HPGDS O60760 1/20 0.35
▸ KCNK3 O14649 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35

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
SCHEMBL361902 0.90 GPR119 (0.37) CKS1BSKP1SKP2GPR119KCNK3
SCHEMBL12505610 0.84 PDE10A (0.35) CKS1BSKP1SKP2
SCHEMBL15967936 0.80 CKS1B (0.41) CKS1BSKP1SKP2USP30GBA1
SCHEMBL361367 0.79 CKS1B (0.47) CKS1BSKP1SKP2USP30GBA1
SCHEMBL362148 0.79 CKS1B (0.47) CKS1BSKP1SKP2USP30GBA1
SCHEMBL361644 0.77 CKS1B (0.45) CKS1BSKP1SKP2USP30GPR119
SCHEMBL361713 0.77 CKS1B (0.45) CKS1BSKP1SKP2USP30GBA1
SCHEMBL363214 0.77 CKS1B (0.45) CKS1BSKP1SKP2USP30GBA1
SCHEMBL14876725 0.76 ALDH1A1 (0.38) —
SCHEMBL360863 0.75 CKS1B (0.43) CKS1BSKP1SKP2USP30GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593452-B1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2017-01-18 — — EP disclosed
US-9132127-B2 Substituted pyrido[2,3-B]pyrazines as IP receptor agonists NOVARTIS AG (CH) 2015-09-15 — — US disclosed
US-20140243346-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2014-08-28 — — US disclosed
US-8754085-B2 Pyrido[2,3-b]pyrazine compounds useful as IP receptor agonist NOVARTIS AG (CH) 2014-06-17 — — US disclosed
EP-2593452-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS Novartis AG (CH) 2013-05-22 — — EP disclosed
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2013-04-25 — — US disclosed
WO-2012007539-A9 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2012-11-01 — — WO disclosed
WO-2012007539-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2012-01-19 — — 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-20140243346-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR CKS1B 2862/4885SKP1 3883/4885SKP2 3562/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR CKS1B 2862/4885SKP1 3883/4885SKP2 3562/4885

“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.

Send feedback