SCHEMBL361776

SCHEMBL361776

c1ccc(-c2cc3cccnc3nc2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.49
AKT2 P31751 6/20 0.49
TOP1 P11387 1/20 0.44
PSMB5 P28074 1/20 0.43
DHODH Q02127 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
NPC1 O15118 1/20 0.41
ADK P55263 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14500994 0.88 AKT1 (0.53) AKT1AKT2DHODH
SCHEMBL1350735 0.87 AKT1 (0.52) AKT1AKT2ADORA2AADORA1ADK
SCHEMBL1352612 0.87 AKT1 (0.45) AKT1AKT2TOP1DHODHADK
SCHEMBL5261709 0.87 DHODH (0.49) AKT1AKT2DHODHNPC1MEN1
Hydrochloric Acid SCHEMBL1350035 0.86 AKT1 (0.51) AKT1AKT2ADK
SCHEMBL1350052 0.83 AKT1 (0.48) AKT1AKT2DHODHADK
SCHEMBL1692394 0.81 DHODH (0.44) DHODHNPC1MEN1LMNATP53
SCHEMBL6004191 0.81 DHODH (0.41) DHODHADORA2AADORA1NPC1MEN1
SCHEMBL31520474 0.81 FGFR1 (0.51) TOP1ADORA2AADORA1NPC1MEN1
SCHEMBL5306884 0.81 TOP1 (0.42) AKT1AKT2TOP1DHODHNPC1

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
CN-112778306-B Synthesis method of 1, 8-naphthyridine derivative 吉林化工学院 2024-01-26 CN disclosed
CN-112778306-A Synthetic method of 1, 8-naphthyridine derivative 吉林化工学院 2021-05-11 CN disclosed
EP-2593452-B1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2017-01-18 EP disclosed
CN-103097385-B IP receptor stimulating agent heterocyclic compound 诺华股份有限公司 2016-08-03 CN 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 AKT1 542/4885AKT2 627/4885TOP1 3847/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR AKT1 542/4885AKT2 627/4885TOP1 3847/4885

“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.