SCHEMBL361031

SCHEMBL361031

c1ccc(-c2nc3c(nc2-c2ccccc2)NCCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TSHR P16473 2/20 0.40
NISCH Q9Y2I1 2/20 0.40
GAA P10253 1/20 0.40
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
LMNA P02545 2/20 0.37
MAPK10 P53779 1/20 0.37
KDR P35968 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
GFER P55789 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX15 P16050 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL362039 0.91 TDP1 (0.49) CYP3A4NISCHGAAHTR2AHTR2C
SCHEMBL362958 0.91 TDP1 (0.49) CYP3A4NISCHGAAHTR2AHTR2C
SCHEMBL10226477 0.87 ADORA3 (0.40) CYP3A4NISCHHTR2AHTR2CHTR2B
SCHEMBL10226341 0.87 DPP4 (0.38) CYP3A4TSHRNISCHGAALMNA
SCHEMBL10226345 0.87 ADORA3 (0.40) CYP3A4NISCHHTR2AHTR2CHTR2B
SCHEMBL360693 0.83 NISCH (0.42) CYP3A4NISCHHTR2AHTR2CHTR2B
SCHEMBL10226354 0.82 NISCH (0.43) NISCHKDRMAPTHTR7SMN1; SMN2
SCHEMBL363308 0.80 HTR7 (0.40) NISCHKDRALDH1A1MAPTTDP1
SCHEMBL10226474 0.80 HTR7 (0.40) NISCHKDRALDH1A1MAPTTDP1
SCHEMBL10226355 0.80 NISCH (0.42) NISCHGAAHTR2AHTR2CHTR2B

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 CYP3A4 3334/4885TSHR 508/4885NISCH 4165/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR CYP3A4 3334/4885TSHR 508/4885NISCH 4165/4885

“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.