SCHEMBL4181284

SCHEMBL4181284

CC(N)c1nc2cccc(Cl)c2nc1-c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.41
ADORA1 P30542 3/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
NT5E P21589 1/20 0.36
MAP4K4 O95819 3/20 0.36
PTGS2 P35354 1/20 0.35
CTSA P10619 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ADORA2B P29275 1/20 0.34
PIK3CD O00329 2/20 0.34
DPP4 P27487 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34

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 0.90 ADORA2A (0.40) ADORA2AADORA1NR1H2NR1H3NT5E
SCHEMBL27802879 0.88 ADORA2A (0.39) ADORA2AADORA1NR1H2NR1H3NT5E
SCHEMBL4167700 0.88 ADORA2A (0.39) ADORA2AADORA1NR1H2NR1H3NT5E
SCHEMBL17718352 0.85 DHODH (0.41) ADORA2ANR1H2NR1H3GAAMEN1
SCHEMBL4173758 0.85 NR1H2 (0.40) ADORA2AADORA1NR1H2NR1H3NT5E
SCHEMBL4178794 0.84 ABL1 (0.34) NR1H2NR1H3DPP4ALDH1A1CYP1A2
SCHEMBL4182457 0.80 NR1H2 (0.51) ADORA2AADORA1NR1H2NR1H3NT5E
SCHEMBL16447644 0.80 ADORA2A (0.39) ADORA2AADORA1NR1H2NR1H3NT5E
SCHEMBL4181287 0.79 PTGS2 (0.39) ADORA2ANR1H2NR1H3PTGS2CTSA
SCHEMBL10251324 0.79 ADORA2A (0.39) ADORA2AADORA1NT5EPTGS2CTSA

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 29 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-2137186-B1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC (US) 2016-01-27 EP disclosed
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-20120220586-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-20120220586-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US 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
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 (5 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 ADORA2A 1368/4885ADORA1 3475/4885NR1H2 799/4885
US-20090137581-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 ADORA2A 1368/4885ADORA1 3475/4885NR1H2 799/4885
US-20120220586-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 ADORA2A 1368/4885ADORA1 3475/4885NR1H2 799/4885
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 ADORA2A 1368/4885ADORA1 3475/4885NR1H2 799/4885
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 ADORA2A 1368/4885ADORA1 3475/4885NR1H2 799/4885

“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.