SCHEMBL16447644

SCHEMBL16447644

CC(N)Cc1nc2c(Cl)cccc2nc1-c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
TACR3 P29371 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA1 P30542 2/20 0.36
DPP4 P27487 2/20 0.34
NT5E P21589 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
SCHEMBL4181284 0.80 ADORA2A (0.41) ADORA2AMGAMGAASIMGAM2
SCHEMBL4173758 0.79 NR1H2 (0.40) ADORA2AMGAMGAASIMGAM2
SCHEMBL4185412 0.79 DPP4 (0.43) ADORA2ANR1H2NR1H3MEN1USP2
SCHEMBL4437511 0.77 TAAR1 (0.43) ADORA2ANR1H2NR1H3MEN1USP2
SCHEMBL4182817 0.77 ADORA2A (0.40) ADORA2AMGAMGAASIMGAM2
SCHEMBL4171148 0.77 ERBB2 (0.42) ADORA2AMGAMGAASIMGAM2
SCHEMBL14047509 0.76 ADORA2A (0.38) ADORA2AMGAMGAASIMGAM2
SCHEMBL4182457 0.75 NR1H2 (0.51) ADORA2AMGAMGAASIMGAM2
SCHEMBL4169725 0.75 ADORA2A (0.41) ADORA2AMGAMGAASIMGAM2
SCHEMBL4441851 0.75 ADORA2A (0.39) ADORA2AMGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150045361-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC (US) 2015-02-12 US 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 (1 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-20150045361-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 ADORA2A 1368/4885MGAM 2643/4885GAA 2664/4885

“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.