SCHEMBL7975599

SCHEMBL7975599

COc1ccn2cc(C)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
PKM P14618 2/20 0.51
TLR9 Q9NR96 7/20 0.47
TLR7 Q9NYK1 6/20 0.47
HDAC1 Q13547 1/20 0.44
TP53 P04637 2/20 0.41
METTL3 Q86U44 2/20 0.40
EPHX2 P34913 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SUV39H2 Q9H5I1 1/20 0.39
HPGD P15428 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
SCHEMBL30427342 0.81 KDM4E (0.43) KDM4ENPC1RAB9APKMHDAC1
SCHEMBL29373485 0.81 TLR9 (0.47) KDM4ENPC1RAB9APKMTLR9
SCHEMBL22129495 0.81 TLR9 (0.52) KDM4ENPC1RAB9APKMTLR9
SCHEMBL31000102 0.81 NPC1 (0.47) KDM4ENPC1RAB9APKMTLR9
SCHEMBL753696 0.81 NPC1 (0.47) KDM4ENPC1RAB9APKMTLR9
SCHEMBL15004635 0.80 HDAC1 (0.41) KDM4ENPC1RAB9APKMHDAC1
SCHEMBL13050350 0.78 TLR9 (0.46) KDM4ENPC1RAB9APKMTLR9
SCHEMBL13080337 0.78 METTL3 (0.49) KDM4ENPC1RAB9APKMTLR9
SCHEMBL28539546 0.78 KDM4E (0.74) KDM4ENPC1RAB9APKMTLR9
SCHEMBL24760174 0.78 HDAC1 (0.37) KDM4ENPC1RAB9APKMTLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020201773-A1 METTL3 INHIBITORY COMPOUNDS STORM THERAPEUTICS LTD (GB) 2020-10-08 WO disclosed
US-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS FMR LLC 2015-11-12 US disclosed
US-8946222-B2 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-02-03 US disclosed
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHAMACEUTICALS, INC. (US) 2013-06-06 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 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-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A KDM4E 559/4885NPC1 2094/4885RAB9A 1008/4885
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 KDM4E 483/4885NPC1 2452/4885RAB9A 2608/4885
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A KDM4E 559/4885NPC1 2094/4885RAB9A 1008/4885

“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.