SCHEMBL362045

SCHEMBL362045

Cc1ccc(-c2nc3cccnc3nc2-c2ccc(C)c(F)c2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.58
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
KMO O15229 1/20 0.42
NISCH Q9Y2I1 1/20 0.40
ADK P55263 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MAPK10 P53779 1/20 0.39
DHODH Q02127 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
TOP1 P11387 1/20 0.38

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
SCHEMBL12818129 0.79 CYP2A6 (0.51) KMONISCH
SCHEMBL30079671 0.79 MAPK14 (0.88) MAPK14BCHEACHEMAPK10TOP1
SCHEMBL284334 0.79 MAPK14 (0.88) MAPK14BCHEACHEMAPK10TOP1
SCHEMBL360643 0.79 MAPK14 (0.62) MAPK14BCHEACHEALDH1A1MAPT
SCHEMBL14416946 0.76 MAPK14 (0.62) MAPK14ALDH1A1MAPTMAPK1HTT
SCHEMBL360913 0.75 TDP1 (0.69) MAPK14BCHEACHEALDH1A1MAPT
SCHEMBL362378 0.75 TDP1 (0.69) MAPK14BCHEACHEALDH1A1MAPT
SCHEMBL13034376 0.75 NISCH (0.42) KMONISCHPDE10A
SCHEMBL13053035 0.75 MAPK14 (0.47) MAPK14BCHEACHEALDH1A1MAPT
SCHEMBL13020043 0.74 TDP1 (0.67) MAPK14BCHEACHEALDH1A1MAPT

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 MAPK14 894/4885BCHE 4459/4885ACHE 4714/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR MAPK14 894/4885BCHE 4459/4885ACHE 4714/4885

“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.