SCHEMBL6133466

SCHEMBL6133466

Cc1ccccc1-c1nc(N)ncc1-c1ccc(=O)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40
MAPK14 Q16539 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA1 P30542 3/20 0.38
BTK Q06187 1/20 0.38
EPHA4 P54764 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NOTUM Q6P988 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
FGFR1 P11362 2/20 0.36
PDGFRB P09619 1/20 0.36

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
SCHEMBL6134600 0.89 FGFR1 (0.42) ADORA2ALCKKDRJAK3MAPK14
SCHEMBL6134476 0.85 CYP1A2 (0.40) ADORA2APOLBCYP1A2ADORA1KDM4E
SCHEMBL6134067 0.84 ADORA2A (0.49) ADORA2ALMNAADORA1ALDH1A1DCUN1D1
SCHEMBL6133302 0.83 CYP1A2 (0.54) ADORA2ACYP1A2KMT2AADORA1
SCHEMBL6134411 0.81 LMNA (0.56) ADORA2ALMNACYP1A2MEN1KMT2A
SCHEMBL6133379 0.80 ADORA1 (0.58) ADORA2ALMNACYP1A2MEN1KMT2A
SCHEMBL6133893 0.78 FGFR1 (0.43) ADORA2ACYP1A2ADORA1FGFR1PDGFRB
SCHEMBL6133799 0.78 ADORA2A (0.54) ADORA2ALMNAPOLBTDP1MEN1
SCHEMBL6133404 0.78 CYP1A2 (0.37) ADORA2ALMNACYP1A2MEN1KMT2A
SCHEMBL6134714 0.77 PDE4A (0.42) ADORA2ALMNACYP1A2KMT2AADORA1

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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 WO 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885LCK 3310/4885KDR 3090/4885

“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.