SCHEMBL4173758

SCHEMBL4173758

CC(C)c1nc2c(Cl)cccc2nc1-c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ADORA2A P29274 3/20 0.40
NT5E P21589 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
GCGR P47871 1/20 0.37
ALDH1A1 P00352 3/20 0.37
USP2 O75604 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA1 P30542 2/20 0.37
MAP4K4 O95819 2/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36

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
SCHEMBL4182817 0.95 ADORA2A (0.40) NR1H2NR1H3ADORA2ANT5EKDM5B
SCHEMBL4167700 0.85 ADORA2A (0.39) NR1H2NR1H3ADORA2ANT5EKDM5B
SCHEMBL27802879 0.85 ADORA2A (0.39) NR1H2NR1H3ADORA2ANT5EKDM5B
SCHEMBL4181284 0.85 ADORA2A (0.41) NR1H2NR1H3ADORA2ANT5EKDM5B
SCHEMBL4182457 0.80 NR1H2 (0.51) NR1H2NR1H3ADORA2ANT5EALDH1A1
SCHEMBL16447644 0.79 ADORA2A (0.39) NR1H2NR1H3ADORA2ANT5EKDM5B
SCHEMBL4169417 0.78 NR1H2 (0.40) NR1H2NR1H3ADORA2ANT5EALDH1A1
SCHEMBL4169725 0.77 ADORA2A (0.41) NR1H2NR1H3ADORA2ANT5EALDH1A1
SCHEMBL4181287 0.77 PTGS2 (0.39) NR1H2NR1H3ADORA2AKDM5BALDH1A1
SCHEMBL27802799 0.76 MAP4K4 (0.47) NR1H2NR1H3ADORA2ANT5EADORA1

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 36 patents — showing the first 20. 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-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-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 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
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 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
EP-3045458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2016-07-20 EP disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
CN-101715453-A Heterogeneous ring compound and application thereof AMGEN INC 2010-05-26 CN disclosed
EP-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 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-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 NR1H2 799/4885NR1H3 1048/4885ADORA2A 1368/4885
US-20090137581-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 NR1H2 799/4885NR1H3 1048/4885ADORA2A 1368/4885
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 NR1H2 799/4885NR1H3 1048/4885ADORA2A 1368/4885

“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.