SCHEMBL2018893

SCHEMBL2018893

Cc1ccc(-c2cn3c(N)nnc3c(N)n2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ADORA2A P29274 6/20 0.37
ADORA1 P30542 4/20 0.37
PIM1 P11309 1/20 0.37
SRC P12931 1/20 0.37
GSK3A P49840 1/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
TLR8 Q9NR97 2/20 0.35
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2024812 0.80 ADORA2A (0.46) ADORA2AADORA1PIM1SRCGSK3A
SCHEMBL2024778 0.77 ADORA2A (0.58) ADORA2AADORA1PIM1SRCGSK3A
SCHEMBL2022715 0.75 TLR8 (0.45) LMNAADORA2AADORA1SRCTLR8
SCHEMBL2025321 0.73 ALDH1A1 (0.51) LMNAADORA2AHSP90AA1HSP90AB1DPP4
SCHEMBL2018334 0.68 ADORA2A (0.43) ADORA2AADORA1PIM1HPGDADORA3
SCHEMBL2021909 0.66 ADORA2A (0.61) ADORA2AADORA1TLR8NPC1RAB9A
SCHEMBL2023069 0.66 APP (0.43) ADORA2AADORA1
SCHEMBL6373751 0.64 MAPK1 (0.54) ADORA2AADORA1HSP90AA1HSP90AB1DPP4
SCHEMBL13212768 0.64 TLR8 (0.41) LMNAADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL24404418 0.64 CDC7 (0.40) LMNAHSP90AA1HSP90AB1DPP4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329705-B2 Substituted triazolo-pyrazine compounds ARQULE, INC. (US) 2012-12-11 US disclosed
US-20110160215-A1 Substituted Triazolo-Pyrazine Compounds ARQULE, INC. (US) 2011-06-30 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-20110160215-A1 Substituted Triazolo-Pyrazine Compounds MKI67, TP53, THPO LMNA 3278/4885ADORA2A 985/4885ADORA1 2652/4885

“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.