SCHEMBL5598574

SCHEMBL5598574

[O-][n+]1cccc2nccc(O)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPT P10636 4/20 0.39
HTT P42858 2/20 0.39
HSP90AA1 P07900 1/20 0.39
NCF1 P14598 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
CASP3 P42574 1/20 0.32
KMT2A Q03164 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
NPC1 O15118 1/20 0.31
ESR1 P03372 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
PTK2B Q14289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ERN1 O75460 1/20 0.31

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
SCHEMBL14667040 0.79 NPC1 (0.32) MAPTNCF1ALDH1A1NPC1ESR1
SCHEMBL100824 0.68 MAPT (0.43) KDM4EMAPTHTTHSP90AA1MEN1
SCHEMBL34468885 0.68 MAPT (0.43) KDM4EMAPTHTTHSP90AA1MEN1
SCHEMBL9901185 0.68 KDM4E (0.38) KDM4EMAPTHTTMEN1ALDH1A1
SCHEMBL128549 0.67 NCF1 (0.56) KDM4EMAPTHTTNCF1MEN1
SCHEMBL29126971 0.67 MAPT (0.42) KDM4EMAPTHTTHSP90AA1MEN1
SCHEMBL31746077 0.67 MAPT (0.42) KDM4EMAPTHTTHSP90AA1MEN1
SCHEMBL28915804 0.67 MAPT (0.42) KDM4EMAPTHTTHSP90AA1MEN1
SCHEMBL29239268 0.67 MAPT (0.42) KDM4EMAPTHTTHSP90AA1MEN1
SCHEMBL31746076 0.67 MAPT (0.42) KDM4EMAPTHTTHSP90AA1MEN1

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
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
EP-2734520-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC (US) 2016-09-14 EP disclosed
EP-2900239-A1 DIHYDRO-6-AZAPHENALENE DERIVATIVES FOR THE TREATMENT OF CNS, ONCOLOGICAL DISEASES AND RELATED DISORDERS The Warner-Babcock Institute For Green Chemistry LLC (US) 2015-08-05 EP disclosed
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-05-07 US disclosed
US-8969363-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
EP-2734520-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Infinity Pharmaceuticals, Inc. (US) 2014-05-28 EP disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
WO-2007113548-A1 NAPHTHYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-10-11 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-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM4E 3893/4885MAPT 1605/4885HTT 823/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM4E 3893/4885MAPT 1605/4885HTT 823/4885

“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.