SCHEMBL6133664

SCHEMBL6133664

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.45
ADORA2A P29274 9/20 0.41
CYP1A2 P05177 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
ADORA2B P29275 1/20 0.40
DHFR P00374 1/20 0.40
HPGDS O60760 1/20 0.38
NOTUM Q6P988 1/20 0.38
FYN P06241 1/20 0.38
CHUK O15111 1/20 0.38

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
SCHEMBL6133920 0.89 ADORA1 (0.42) ADORA1ADORA2ACYP1A2
SCHEMBL6134475 0.86 ADORA1 (0.41) ADORA1ADORA2ACYP1A2
SCHEMBL6133379 0.86 ADORA1 (0.58) ADORA1ADORA2ACYP1A2CCNT1CCNA2
SCHEMBL6133302 0.85 CYP1A2 (0.54) ADORA1ADORA2ACYP1A2
SCHEMBL6134045 0.85 RPS6KA3 (0.44) ADORA1ADORA2ACYP1A2
SCHEMBL6134308 0.83 ADORA2A (0.61) ADORA1ADORA2AADORA2B
SCHEMBL6133404 0.82 CYP1A2 (0.37) ADORA1ADORA2ACYP1A2
SCHEMBL6133337 0.81 HSP90AA1 (0.48) ADORA1ADORA2ACYP1A2
SCHEMBL6133477 0.80 ADORA1 (0.55) ADORA1ADORA2ADHFRNOTUM
SCHEMBL1554448 0.80 ADORA1 (0.52) ADORA1ADORA2ACCNT1CCNA2CDK2

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.