SCHEMBL6134475

SCHEMBL6134475

Nc1ncc(-c2ccc(=O)[nH]n2)c(-c2cccc(Br)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.41
ADORA2A P29274 8/20 0.41
CYP1A2 P05177 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
CLK1 P49759 3/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH2 P25021 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL6133379 0.86 ADORA1 (0.58) ADORA1ADORA2ACYP1A2MEN1RAB9A
SCHEMBL6133664 0.86 ADORA1 (0.45) ADORA1ADORA2ACYP1A2
SCHEMBL6133777 0.85 ADORA1 (0.41) ADORA1ADORA2ACYP1A2CLK1MEN1
SCHEMBL6133302 0.85 CYP1A2 (0.54) ADORA1ADORA2ACYP1A2KMT2A
SCHEMBL6134308 0.83 ADORA2A (0.61) ADORA1ADORA2ADCUN1D1CLK1CDK5
SCHEMBL6133337 0.81 HSP90AA1 (0.48) ADORA1ADORA2ACYP1A2CDK5CDK5R1
SCHEMBL6133477 0.80 ADORA1 (0.55) ADORA1ADORA2AMEN1NPC1RAB9A
SCHEMBL6134045 0.80 RPS6KA3 (0.44) ADORA1ADORA2ACYP1A2MEN1ALDH1A1
SCHEMBL6133920 0.80 ADORA1 (0.42) ADORA1ADORA2ACYP1A2MEN1KMT2A
SCHEMBL6134476 0.80 CYP1A2 (0.40) ADORA1ADORA2ACYP1A2DCUN1D1CLK1

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 ADORA1 3/4885ADORA2A 2/4885CYP1A2 1170/4885

“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.