SCHEMBL890730

SCHEMBL890730

O=c1cc(-c2ccccn2)nc2ccccn12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
ADORA3 P0DMS8 2/20 0.51
RAD51 Q06609 1/20 0.51
KDM5B Q9UGL1 1/20 0.50
KDM4E B2RXH2 5/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
PTGS2 P35354 1/20 0.48
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
PRKDC P78527 1/20 0.46
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
GAA P10253 3/20 0.44
HTT P42858 3/20 0.44
MAPK1 P28482 3/20 0.44

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
SCHEMBL32688240 0.80 MAPT (0.52) RAD51KDM5BKDM4EMAPTSMN1; SMN2
SCHEMBL1659994 0.79 KDM4E (0.52) GRM5ADORA3RAD51KDM5BKDM4E
SCHEMBL1834856 0.78 ADORA3 (0.47) GRM5ADORA3KDM5BKDM4EMAPT
SCHEMBL8092386 0.74 NPC1 (0.55) ADORA3RAD51KDM5BKDM4EMAPT
SCHEMBL8099804 0.74 RAB9A (0.49) GRM5ADORA3KDM4EMAPTSMN1; SMN2
SCHEMBL8105987 0.74 NPC1 (0.55) GRM5ADORA3KDM5BKDM4EMAPT
SCHEMBL890511 0.74 DPP4 (0.49) GRM5ADORA3KDM4EMAPTSMN1; SMN2
SCHEMBL910159 0.74 KDM4E (0.43) GRM5ADORA3KDM4EMAPTSMN1; SMN2
SCHEMBL20602860 0.74 ADORA3 (0.61) GRM5ADORA3KDM4EMAPTSMN1; SMN2
SCHEMBL3958034 0.73 KDM4E (0.55) GRM5ADORA3KDM4EMAPTSMN1; SMN2

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-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 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-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 GRM5 2946/4885ADORA3 2668/4885RAD51 1988/4885

“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.