SCHEMBL2184389

SCHEMBL2184389

Cn1c(=O)c2nc(NCCCN)nnc2n(C2CCCC2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.38
PRKDC P78527 3/20 0.34
CSF1R P07333 1/20 0.34
TTK P33981 1/20 0.34
ADORA2B P29275 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
CDK2 P24941 3/20 0.32
FLT3 P36888 3/20 0.32
PDGFRA P16234 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2182414 0.93 ADORA2A (0.39) ADORA2APRKDCCSF1RTTKADORA2B
SCHEMBL2184442 0.89 ADORA2A (0.38) ADORA2APRKDCCSF1RTTKADORA2B
SCHEMBL2182366 0.89 ADORA2A (0.39) ADORA2APRKDCCSF1RTTKADORA2B
SCHEMBL2181649 0.87 KDM1A (0.37) ADORA2APRKDCCSF1RTTKKMT2A
SCHEMBL2182971 0.86 POLB (0.39) ADORA2AKMT2APIK3CAMTOR
SCHEMBL2183096 0.86 ADORA2A (0.36) ADORA2APRKDCCSF1RTTKJAK2
SCHEMBL2184891 0.85 SRC (0.41) ADORA2AKDM4EGAA
SCHEMBL2182242 0.85 FGFR1 (0.37) ADORA2APRKDCCSF1RTTKCDK2
SCHEMBL2182291 0.85 ADORA2A (0.36) ADORA2APRKDCCSF1RTTKJAK2
SCHEMBL2180585 0.85 CYP2D6 (0.42) ADORA2APRKDCCSF1RTTKJAK2

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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR ADORA2A 836/4885PRKDC 1601/4885CSF1R 2333/4885

“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.