SCHEMBL361902

SCHEMBL361902

Cc1ccc(-c2nc3c(nc2-c2ccc(C)cc2)N(C(=O)OC(C)(C)C)CC(O)C3O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.37
▸ CKS1B P61024 2/20 0.35
▸ SKP1 P63208 2/20 0.35
▸ SKP2 Q13309 2/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ PREP P48147 1/20 0.33
▸ KCNK3 O14649 3/20 0.33
▸ KCNK9 Q9NPC2 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NTMT1 Q9BV86 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL361792 0.90 CKS1B (0.45) GPR119CKS1BSKP1SKP2KCNK3
SCHEMBL14876725 0.85 ALDH1A1 (0.38) CNR1PTGIR
SCHEMBL15110449 0.82 GPR119 (0.41) GPR119CKS1BSKP1SKP2KMT2A
SCHEMBL362106 0.81 POLB (0.35) KMT2APOLBL3MBTL1PTGIR
SCHEMBL15968405 0.81 CKS1B (0.35) GPR119CKS1BSKP1SKP2KMT2A
SCHEMBL15110209 0.81 CYP1A2 (0.39) GPR119CKS1BSKP1SKP2KMT2A
SCHEMBL362961 0.79 GPR119 (0.41) GPR119CKS1BSKP1SKP2KMT2A
SCHEMBL15117344 0.79 GPR119 (0.37) GPR119CKS1BSKP1SKP2KMT2A
SCHEMBL15110828 0.79 CKS1B (0.34) GPR119CKS1BSKP1SKP2KMT2A
SCHEMBL15111310 0.78 GPR119 (0.39) GPR119CKS1BSKP1SKP2KMT2A

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 11 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-20150005311-A1 IP receptor agonist heterocyclic compounds NOVARTIS AG (CH) 2015-01-01 — — US disclosed
EP-2802583-A1 FUSED PIPERIDINES AS IP RECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION (PAH) AND RELATED DISORDERS Novartis AG (CH) 2014-11-19 — — EP 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
WO-2013105063-A1 FUSED PIPERIDINES AS IP RECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION (PAH) AND RELATED DISORDERS NOVARTIS AG (CH) 2013-07-18 — — WO 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 (3 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-20150005311-A1 IP receptor agonist heterocyclic compounds PTGIR, GPR68, ACVR1 GPR119 118/4885CKS1B 2504/4885SKP1 3896/4885
US-20140243346-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR GPR119 201/4885CKS1B 2862/4885SKP1 3883/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR GPR119 201/4885CKS1B 2862/4885SKP1 3883/4885

“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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