SCHEMBL363258

SCHEMBL363258

C=CCCCN1CCCc2nc(-c3ccccc3)c(-c3ccccc3)nc21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ IDH1 O75874 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
SCHEMBL15110832 0.85 PKM (0.33) —
SCHEMBL363049 0.84 PKM (0.33) —
SCHEMBL363512 0.82 ALDH1A1 (0.38) MEN1KMT2AALDH1A1CYP2C9
SCHEMBL361492 0.82 HPGD (0.33) MEN1KMT2AALDH1A1
SCHEMBL361139 0.80 PTGIR (0.45) FAAHMEN1KMT2AALDH1A1
SCHEMBL362539 0.79 PTGIR (0.47) FAAHALDH1A1
SCHEMBL363697 0.79 PTGIR (0.47) FAAHALDH1A1
SCHEMBL15800095 0.79 FAAH (0.37) FAAHMEN1KMT2AALDH1A1CYP2C9
SCHEMBL361771 0.78 ALDH1A1 (0.36) FAAHMEN1KMT2AALDH1A1CYP2C9
SCHEMBL361770 0.78 ALDH1A1 (0.36) FAAHMEN1KMT2AALDH1A1CYP2C9

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 FAAH 1419/4885MEN1 4047/4885KMT2A 3644/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR FAAH 1419/4885MEN1 4047/4885KMT2A 3644/4885

“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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