SCHEMBL360643

SCHEMBL360643

Cc1ccc(-c2nc3cccnc3nc2-c2ccc(C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.62
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 7/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
ADORA2A P29274 1/20 0.42
DHODH Q02127 1/20 0.42
TOP1 P11387 1/20 0.42

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
SCHEMBL362378 0.95 TDP1 (0.69) MAPK14TDP1ALDH1A1MAPTMAPK1
SCHEMBL360913 0.95 TDP1 (0.69) MAPK14TDP1ALDH1A1MAPTMAPK1
SCHEMBL13020043 0.94 TDP1 (0.67) MAPK14TDP1ALDH1A1MAPTMAPK1
SCHEMBL362270 0.87 L3MBTL1 (0.66) MAPK14TDP1ALDH1A1MAPTMAPK1
SCHEMBL29516689 0.83 MAPK14 (0.63) MAPK14TDP1ALDH1A1MAPK1HTT
SCHEMBL284971 0.83 MAPK14 (0.63) MAPK14TDP1ALDH1A1MAPK1HTT
SCHEMBL30079671 0.82 MAPK14 (0.88) MAPK14BCHEACHEADORA2ATOP1
SCHEMBL14416946 0.82 MAPK14 (0.62) MAPK14TDP1ALDH1A1MAPTMAPK1
SCHEMBL284334 0.82 MAPK14 (0.88) MAPK14BCHEACHEADORA2ATOP1
Bromide SCHEMBL28426843 0.81 MAPK14 (0.61) MAPK14TDP1ALDH1A1MAPK1HTT

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 20 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
EP-2802584-B1 SALTS OF AN IP RECEPTOR AGONIST NOVARTIS AG (CH) 2015-11-18 EP disclosed
US-9174985-B2 Salts of 7-(2,3-di-p-tolyl-7,8-dihydropyrido[2,3-b]pyrazin-5(6H)-yl)heptanoic acid as IP receptor agonists NOVARTIS AG (CH) 2015-11-03 US 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-20150011555-A1 Salts of an IP Receptor Agonist NOVARTIS AG (CH) 2015-01-08 US disclosed
US-20150005311-A1 IP receptor agonist heterocyclic compounds NOVARTIS AG (CH) 2015-01-01 US disclosed
US-20140357642-A1 IP receptor agonist heterocyclic compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
EP-2802584-A1 SALTS OF AN IP RECEPTOR AGONIST Novartis AG (CH) 2014-11-19 EP 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
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
WO-2013105066-A1 SALTS OF AN IP RECEPTOR AGONIST 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 (5 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 MAPK14 1149/4885TDP1 4684/4885ALDH1A1 3004/4885
US-20140357642-A1 IP receptor agonist heterocyclic compounds PTGIR, GPR68, GPR84 MAPK14 1188/4885TDP1 4587/4885ALDH1A1 3232/4885
US-20140243346-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR MAPK14 894/4885TDP1 4605/4885ALDH1A1 2869/4885
US-20150011555-A1 Salts of an IP Receptor Agonist INSR, GPR27, GIPR MAPK14 3194/4885TDP1 4543/4885ALDH1A1 2795/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR MAPK14 894/4885TDP1 4605/4885ALDH1A1 2869/4885

“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.