SCHEMBL362622

SCHEMBL362622

Clc1nc2cccnc2nc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
PKM P14618 1/20 0.65
MAPK14 Q16539 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
DHODH Q02127 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TOP1 P11387 1/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL284971 0.85 MAPK14 (0.63) KDM4EPKMMAPK14L3MBTL1LMNA
SCHEMBL29516689 0.85 MAPK14 (0.63) KDM4EPKMMAPK14L3MBTL1LMNA
SCHEMBL362270 0.85 L3MBTL1 (0.66) KDM4EPKMMAPK14L3MBTL1TDP1
Bromide SCHEMBL28426843 0.84 MAPK14 (0.61) KDM4EPKMMAPK14L3MBTL1LMNA
SCHEMBL21174607 0.79 MAPK14 (0.44) KDM4EPKMMAPK14L3MBTL1LMNA
SCHEMBL362277 0.79 TDP1 (0.54) KDM4EPKMMAPK14LMNATDP1
SCHEMBL1545355 0.79 KDM4E (1.00) KDM4EPKML3MBTL1LMNAGAA
SCHEMBL21174590 0.79 RAD51 (0.48) KDM4EPKMMAPK14NPC1RAB9A
SCHEMBL27316158 0.79 KDM4E (0.74) KDM4EPKML3MBTL1LMNAGAA
SCHEMBL360913 0.77 TDP1 (0.69) KDM4EMAPK14L3MBTL1LMNAGAA

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 12 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-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
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 KDM4E 3345/4885PKM 1428/4885MAPK14 1188/4885
US-20140243346-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR KDM4E 3335/4885PKM 1629/4885MAPK14 894/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR KDM4E 3335/4885PKM 1629/4885MAPK14 894/4885

“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.