SCHEMBL361942

SCHEMBL361942

Cc1ccc(-c2nc3c(nc2-c2ccc(C)cc2)N(C(=O)O)CCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CNR1 P21554 6/20 0.40
▸ LMNA P02545 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PGR P06401 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMO Q99835 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.35
▸ TSHR P16473 2/20 0.35

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
SCHEMBL361458 0.87 NPSR1 (0.39) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL363069 0.83 CKS1B (0.39) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL15110452 0.78 ALDH1A1 (0.39) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL15110392 0.77 ALDH1A1 (0.38) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL361786 0.77 RAB9A (0.39) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL15110799 0.77 CNR1 (0.40) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL15110756 0.75 LTB4R (0.39) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL361200 0.75 LTB4R (0.39) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL15110410 0.75 LTB4R (0.39) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL360807 0.75 LTB4R (0.39) MAPTALDH1A1KDM4EGAAHPGD

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 MAPT 4884/4885ALDH1A1 2869/4885KDM4E 3335/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR MAPT 4884/4885ALDH1A1 2869/4885KDM4E 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.

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