SCHEMBL725034

SCHEMBL725034

Nc1ccc2cn(Cc3ccccc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NSD2 O96028 1/20 0.50
ADORA3 P0DMS8 5/20 0.48
ADORA2A P29274 4/20 0.48
ADORA1 P30542 3/20 0.48
PARP1 P09874 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
STAT1 P42224 1/20 0.41
KMT2A Q03164 1/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL8553183 0.88 ADORA2A (0.48) KDM4EMAPTALDH1A1ADORA3ADORA2A
SCHEMBL1015248 0.84 L3MBTL1 (0.55) KDM4EMAPTALDH1A1NSD2ADORA3
SCHEMBL5765090 0.83 ADORA3 (0.44) ADORA3ADORA2AADORA1PARP1KDM4C
SCHEMBL30995423 0.83 TDP1 (0.45) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL24690105 0.81 ADORA3 (0.47) ALDH1A1ADORA3ADORA2AADORA1PARP1
SCHEMBL1129177 0.81 KDM4C (0.44) KDM4EMAPTALDH1A1ADORA3ADORA2A
SCHEMBL14327053 0.81 KDM4C (0.44) ADORA3ADORA2AADORA1PARP1KDM4C
SCHEMBL17615819 0.81 PARP1 (0.45) ADORA3ADORA2AADORA1PARP1KDM4C
SCHEMBL5764836 0.80 PARP1 (0.44) ADORA3ADORA2AADORA1PARP1KDM4C
SCHEMBL19475067 0.80 PARP1 (0.51) ADORA3ADORA2AADORA1PARP1KDM4C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 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 (1 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-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB KDM4E 1009/4885MAPT 4861/4885ALDH1A1 1457/4885

“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.