SCHEMBL360913

SCHEMBL360913

Cc1ccc(-c2nc3ncccc3nc2-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.69
MAPK14 Q16539 3/20 0.57
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DHODH Q02127 1/20 0.49
TOP1 P11387 1/20 0.48
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
ADORA2A P29274 1/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BCHE P06276 1/20 0.46

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 1.00 TDP1 (0.69) TDP1MAPK14ALDH1A1KDM4EL3MBTL1
SCHEMBL13020043 0.98 TDP1 (0.67) TDP1MAPK14ALDH1A1KDM4EL3MBTL1
SCHEMBL360643 0.95 MAPK14 (0.62) TDP1MAPK14ALDH1A1KDM4EL3MBTL1
SCHEMBL29516689 0.90 MAPK14 (0.63) TDP1MAPK14ALDH1A1KDM4EL3MBTL1
SCHEMBL284971 0.90 MAPK14 (0.63) TDP1MAPK14ALDH1A1KDM4EL3MBTL1
Bromide SCHEMBL28426843 0.88 MAPK14 (0.61) TDP1MAPK14ALDH1A1KDM4EL3MBTL1
SCHEMBL362270 0.83 L3MBTL1 (0.66) TDP1MAPK14ALDH1A1KDM4EL3MBTL1
SCHEMBL8407630 0.82 TDP1 (1.00) TDP1ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL6341547 0.78 TDP1 (0.91) TDP1MAPK14ALDH1A1KDM4EL3MBTL1
SCHEMBL284334 0.78 MAPK14 (0.88) MAPK14TOP1ADORA2ABCHEACHE

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 TDP1 4605/4885MAPK14 894/4885ALDH1A1 2869/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR TDP1 4605/4885MAPK14 894/4885ALDH1A1 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.