SCHEMBL362857

SCHEMBL362857

O=C(O)N1CC=Cc2nc(-c3ccccc3)c(-c3ccccc3)nc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CKS1B P61024 6/20 0.35
▸ SKP1 P63208 6/20 0.35
▸ SKP2 Q13309 6/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL363247 0.89 TDP1 (0.40) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL361405 0.82 CKS1B (0.47) CKS1BSKP1SKP2
SCHEMBL361458 0.69 NPSR1 (0.39) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL12505610 0.68 PDE10A (0.35) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL22397495 0.66 MYC (0.36) ALDH1A1SMN1; SMN2KDM4EGAANPSR1
SCHEMBL361782 0.64 HPGD (0.43) ALDH1A1HPGDSMN1; SMN2CKS1BSKP1
SCHEMBL29376182 0.64 P2RX4 (0.44) SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL363282 0.63 HPGD (0.37) ALDH1A1HPGDKDM4EGAACKS1B
SCHEMBL20658834 0.61 — —
SCHEMBL10372796 0.61 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1

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 ALDH1A1 2869/4885HPGD 534/4885SMN1; SMN2 4800/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR ALDH1A1 2869/4885HPGD 534/4885SMN1; SMN2 4800/4885

“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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