SCHEMBL16443501

SCHEMBL16443501

[N-]=[N+]=NCc1nc2c(F)c(F)ccc2nc1-c1ccccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
AGPAT2 O15120 1/20 0.30
PIK3CD O00329 1/20 0.30

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
SCHEMBL27781341 0.95 KDM4E (0.30) KDM4EALDH1A1GLAKMT2AGAA
SCHEMBL4174814 0.81 KDM4E (0.37) KDM4EALDH1A1GLAKMT2AGAA
SCHEMBL4169580 0.81 DPP4 (0.40) KDM4EALDH1A1GLAKMT2AGAA
SCHEMBL27802803 0.81 PIK3CD (0.45) KDM4EALDH1A1GLAKMT2AGAA
SCHEMBL27802975 0.80 KDM4E (0.36) KDM4EALDH1A1GLAKMT2AGAA
SCHEMBL27802887 0.79 SMN1; SMN2 (0.38) KDM4EALDH1A1GLAKMT2AGAA
SCHEMBL27860611 0.76 MAPT (0.42) KDM4EALDH1A1GLAKMT2AGAA
SCHEMBL4184926 0.76 KDM4E (0.34) KDM4EALDH1A1GLAKMT2AGAA
SCHEMBL14047568 0.76 KDM4E (0.34) KDM4EALDH1A1GLAKMT2AGAA
SCHEMBL4174475 0.76 DPP4 (0.40) KDM4EALDH1A1GLAKMT2AGAA

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
US-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 US disclosed
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
EP-3045458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2016-07-20 EP disclosed
US-20150045361-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC (US) 2015-02-12 US disclosed
CN-101715453-B Heterocyclic compounds and their uses AMGEN INC 2012-06-27 CN disclosed
CN-101715453-A Heterogeneous ring compound and application thereof AMGEN INC 2010-05-26 CN 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-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 KDM4E 1806/4885ALDH1A1 3905/4885GLA 2273/4885
US-20150045361-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 KDM4E 1806/4885ALDH1A1 3905/4885GLA 2273/4885
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 KDM4E 1806/4885ALDH1A1 3905/4885GLA 2273/4885

“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.