SCHEMBL363282

SCHEMBL363282

CN(C)C1CCN(C(=O)O)c2nc(-c3ccccc3)c(-c3ccccc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.37
▸ CKS1B P61024 11/20 0.37
▸ SKP1 P63208 11/20 0.37
▸ SKP2 Q13309 11/20 0.37
▸ CYP46A1 Q9Y6A2 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36
▸ OPRK1 P41145 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL361644 0.85 CKS1B (0.45) CKS1BSKP1SKP2
SCHEMBL361782 0.81 HPGD (0.43) HPGDCKS1BSKP1SKP2ALDH1A1
SCHEMBL361221 0.81 CKS1B (0.38) HPGDCKS1BSKP1SKP2
SCHEMBL361473 0.79 CKS1B (0.38) HPGDCKS1BSKP1SKP2ALDH1A1
SCHEMBL15110882 0.73 KDM1A (0.38) HPGDKDM4EALDH1A1MAPTLMNA
SCHEMBL14876636 0.72 KDM1A (0.38) HPGDKDM4EALDH1A1MAPTGAA
SCHEMBL12505610 0.72 PDE10A (0.35) HPGDCKS1BSKP1SKP2KDM4E
SCHEMBL360863 0.72 CKS1B (0.43) CKS1BSKP1SKP2
SCHEMBL361367 0.68 CKS1B (0.47) HPGDCKS1BSKP1SKP2KDM4E
SCHEMBL362148 0.68 CKS1B (0.47) CKS1BSKP1SKP2KDM4E

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 HPGD 534/4885CKS1B 2862/4885SKP1 3883/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR HPGD 534/4885CKS1B 2862/4885SKP1 3883/4885

“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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