SCHEMBL2018334

SCHEMBL2018334

Cc1cn2c(N)nnc2c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.43
ADORA3 P0DMS8 4/20 0.43
ADORA1 P30542 3/20 0.43
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CDK4 P11802 1/20 0.32
CCND3 P30281 1/20 0.32
RET P07949 1/20 0.30
PIM1 P11309 1/20 0.30
FGFR1 P11362 1/20 0.30
FLT1 P17948 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
PIM3 Q86V86 1/20 0.30
ALK Q9UM73 1/20 0.30

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
SCHEMBL2022715 0.72 TLR8 (0.45) ADORA2AADORA3ADORA1ALDH1A1HPGD
SCHEMBL26254230 0.72 ADORA2A (0.43) ADORA2AADORA3ADORA1ALDH1A1HPGD
SCHEMBL26254231 0.71 ADORA2A (0.42) ADORA2AADORA3ADORA1ALDH1A1HPGD
SCHEMBL2018893 0.68 LMNA (0.42) ADORA2AADORA3ADORA1HPGDPIM1
SCHEMBL19748950 0.68 ADORA2A (0.40) ADORA2AADORA3ADORA1ALDH1A1HPGD
SCHEMBL25789219 0.68 ADORA2A (0.44) ADORA2AADORA3ADORA1ALDH1A1HPGD
SCHEMBL2023069 0.68 APP (0.43) ADORA2AADORA1
SCHEMBL2021909 0.68 ADORA2A (0.61) ADORA2AADORA3ADORA1ALDH1A1HPGD
SCHEMBL2022025 0.66 ADORA2A (0.62) ADORA2AADORA1ALDH1A1HSD17B10RET
SCHEMBL23060023 0.64 ADORA3 (0.40) ADORA2AADORA3ADORA1ALDH1A1HPGD

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 3 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
WO-2011082267-A2 SUBSTITUTED TRIAZOLO-PYRAZINE COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO 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 ADORA2A 985/4885ADORA3 1835/4885ADORA1 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.