SCHEMBL361458

SCHEMBL361458

O=C(O)N1CCCc2nc(-c3ccccc3)c(-c3ccccc3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HPGD P15428 5/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ GRM5 P41594 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL361942 0.87 MAPT (0.42) NPSR1TSHRHPGDALDH1A1SMN1; SMN2
SCHEMBL361139 0.74 PTGIR (0.45) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL362539 0.73 PTGIR (0.47) TSHRALDH1A1KDM4EMAPTHSD17B10
SCHEMBL15800095 0.73 FAAH (0.37) NPSR1TSHRHPGDALDH1A1CNR1
SCHEMBL363697 0.73 PTGIR (0.47) TSHRALDH1A1KDM4EMAPTHSD17B10
SCHEMBL15800096 0.72 FAAH (0.39) HPGDALDH1A1CNR1TDP1KDM4E
SCHEMBL363512 0.71 ALDH1A1 (0.38) NPSR1ALDH1A1HTTTDP1MEN1
SCHEMBL717382 0.71 KDM4E (0.47) TSHRHPGDALDH1A1SMN1; SMN2HTT
SCHEMBL360868 0.71 FAAH (0.45) TSHRHPGDALDH1A1SMN1; SMN2HTT
SCHEMBL363069 0.71 CKS1B (0.39) HPGDALDH1A1CNR1CYP11B2MEN1

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 NPSR1 222/4885TSHR 508/4885HPGD 534/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR NPSR1 222/4885TSHR 508/4885HPGD 534/4885

“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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