SCHEMBL362961

SCHEMBL362961

Cc1ccc(-c2nc3c(nc2-c2ccc(C)cc2)N(C(=O)OC(C)(C)C)CCC3Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ MMP13 P45452 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ CKS1B P61024 2/20 0.37
▸ SKP1 P63208 2/20 0.37
▸ SKP2 Q13309 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PREP P48147 2/20 0.35
▸ ELANE P08246 1/20 0.34
▸ KDM1A O60341 1/20 0.34

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
SCHEMBL362148 0.90 CKS1B (0.47) GPR119ROCK2CKS1BSKP1SKP2
SCHEMBL15110449 0.88 GPR119 (0.41) GPR119MMP13KMT2ACKS1BSKP1
SCHEMBL15111310 0.85 GPR119 (0.39) GPR119MMP13KMT2ACKS1BSKP1
SCHEMBL14876636 0.84 KDM1A (0.38) KMT2AKDM1A
SCHEMBL361902 0.79 GPR119 (0.37) GPR119MMP13KMT2ACKS1BSKP1
SCHEMBL361367 0.77 CKS1B (0.47) GPR119CKS1BSKP1SKP2USP30
SCHEMBL15110700 0.76 CKS1B (0.39) GPR119ROCK2MMP13KMT2ACKS1B
SCHEMBL363069 0.76 CKS1B (0.39) GPR119MMP13KMT2ACKS1BSKP1
SCHEMBL15968405 0.76 CKS1B (0.35) GPR119MMP13KMT2ACKS1BSKP1
SCHEMBL361713 0.75 CKS1B (0.45) GPR119CKS1BSKP1SKP2USP30

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 17 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-9115129-B2 Substituted pyrido[2,3-B]pyrazines as IP receptor agonists NOVARTIS AG (CH) 2015-08-25 — — US disclosed
US-9115129-B2 Substituted pyrido[2,3-B]pyrazines as IP receptor agonists NOVARTIS AG (CH) 2015-08-25 — — US disclosed
US-9115129-B2 Substituted pyrido[2,3-B]pyrazines as IP receptor agonists NOVARTIS AG (CH) 2015-08-25 — — US disclosed
US-20140357642-A1 IP receptor agonist heterocyclic compounds NOVARTIS AG (CH) 2014-12-04 — — US disclosed
US-20140357642-A1 IP receptor agonist heterocyclic compounds NOVARTIS AG (CH) 2014-12-04 — — US disclosed
US-20140357642-A1 IP receptor agonist heterocyclic compounds NOVARTIS AG (CH) 2014-12-04 — — US disclosed
EP-2802585-A1 FUSED PIPERIDINES AS IP RECEPTOR AGONISTS FOR THE TREATMENT OF 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-2013105065-A1 FUSED PIPERIDINES AS IP RECEPTOR AGONISTS FOR THE TREATMENT OF PAH AND RELATED DISORDERS NOVARTIS AG (CH) 2013-07-18 — — WO disclosed
WO-2013105065-A1 FUSED PIPERIDINES AS IP RECEPTOR AGONISTS FOR THE TREATMENT OF 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-20140357642-A1 IP receptor agonist heterocyclic compounds PTGIR, GPR68, GPR84 GPR119 156/4885ROCK2 1109/4885MMP13 3042/4885
US-20140243346-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR GPR119 201/4885ROCK2 766/4885MMP13 2937/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR GPR119 201/4885ROCK2 766/4885MMP13 2937/4885

“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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