SCHEMBL361221

SCHEMBL361221

O=C(O)N1CCC(Br)c2nc(-c3ccccc3)c(-c3ccccc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 11/20 0.38
▸ SKP1 P63208 11/20 0.38
▸ SKP2 Q13309 11/20 0.38
▸ HPGD P15428 5/20 0.38
▸ PPARG P37231 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.35
▸ ALOX5 P09917 1/20 0.34

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
SCHEMBL14876636 0.88 KDM1A (0.38) HPGD
SCHEMBL362148 0.83 CKS1B (0.47) CKS1BSKP1SKP2
SCHEMBL361782 0.82 HPGD (0.43) CKS1BSKP1SKP2HPGDALOX5
SCHEMBL363282 0.81 HPGD (0.37) CKS1BSKP1SKP2HPGD
SCHEMBL361473 0.80 CKS1B (0.38) CKS1BSKP1SKP2HPGD
SCHEMBL12505610 0.75 PDE10A (0.35) CKS1BSKP1SKP2HPGDPDE10A
SCHEMBL15110882 0.74 KDM1A (0.38) HPGD
SCHEMBL362961 0.73 GPR119 (0.41) CKS1BSKP1SKP2
SCHEMBL360863 0.72 CKS1B (0.43) CKS1BSKP1SKP2
SCHEMBL361458 0.70 NPSR1 (0.39) CKS1BSKP1SKP2HPGDALOX5

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.

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