SCHEMBL6135243

SCHEMBL6135243

Cn1nc(-c2c(Nc3ccccc3)nc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.40
ADORA1 P30542 6/20 0.40
BRD4 O60885 2/20 0.39
KDR P35968 1/20 0.39
ADORA2B P29275 1/20 0.38
CALCA P06881 2/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP7 P55210 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
SCHEMBL6133742 0.86 ADORA2A (0.41) ADORA2AADORA1KDRCALCAMAPT
SCHEMBL6133974 0.84 CDK1 (0.44) ADORA2AADORA1BRD4ADORA2BHIF1A
SCHEMBL6133268 0.79 CALCA (0.41) ADORA2AADORA1KDRADORA2BCALCA
SCHEMBL6134701 0.79 ADORA2A (0.46) ADORA2AADORA1ADORA2BMAPTALDH1A1
SCHEMBL6133959 0.79 ADORA2A (0.42) ADORA2AADORA1BRD4ADORA2BALDH1A1
SCHEMBL6133623 0.79 ADORA2A (0.42) ADORA2AADORA1BRD4KDRADORA2B
SCHEMBL6133634 0.78 ADORA2A (0.44) ADORA2AADORA1BRD4KDRADORA2B
SCHEMBL6134394 0.77 ADORA2A (0.40) ADORA2AADORA1BRD4ADORA2BMAPT
SCHEMBL6135237 0.74 ADORA2A (0.42) ADORA2AADORA1BRD4POLB
SCHEMBL6133705 0.73 ADORA2A (0.41) ADORA2AADORA1POLBMEN1KMT2A

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 2/4885ADORA1 3/4885BRD4 2298/4885

“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.