Sugi Predict

Sugi Predict / Compounds / SCHEMBL362839

SCHEMBL362839

SCHEMBL362839

CC(=O)OC1CCN(C(=O)O)c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.38
▸ PTGIR P43119 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CNR1 P21554 8/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ SMO Q99835 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ SCN1A P35498 1/20 0.32

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
SCHEMBL361473 0.91 CKS1B (0.38) ALDH1A1HPGDSMOSCN1ASCN2A
SCHEMBL15111310 0.86 GPR119 (0.39) KDM1AKMT2A
SCHEMBL360969 0.83 MEN1 (0.36) KDM1AALDH1A1MEN1KMT2APOLB
SCHEMBL15110882 0.83 KDM1A (0.38) KDM1APTGIRKDM4EALDH1A1HPGD
SCHEMBL14876636 0.82 KDM1A (0.38) KDM1APTGIRKDM4EALDH1A1HPGD
SCHEMBL360863 0.82 CKS1B (0.43) KDM1A
SCHEMBL362762 0.78 LTB4R (0.36) KDM1APTGIRALDH1A1MAPTTSHR
SCHEMBL361782 0.78 HPGD (0.43) ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL361713 0.78 CKS1B (0.45) KDM1A
SCHEMBL363214 0.78 CKS1B (0.45) KDM1A

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 KDM1A 2931/4885PTGIR 1/4885KDM4E 3335/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR KDM1A 2931/4885PTGIR 1/4885KDM4E 3335/4885

“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