SCHEMBL6133386

SCHEMBL6133386

CC(C)n1nc(-c2cnc(N)nc2-c2ccc(Br)cc2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA1 P30542 10/20 0.38
ADORA2A P29274 6/20 0.38
ADORA2B P29275 1/20 0.38
RPS6KA3 P51812 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
MEN1 O00255 1/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
CLK1 P49759 2/20 0.35
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL6133581 0.90 ADORA1 (0.49) KMT2AMAPTMAPK1ADORA1ADORA2A
SCHEMBL6134159 0.90 RPS6KA3 (0.46) KMT2AADORA1ADORA2AADORA2BRPS6KA3
SCHEMBL6134450 0.89 ADORA1 (0.50) KMT2AADORA1ADORA2AADORA2BRPS6KA3
SCHEMBL6134188 0.89 LMNA (0.45) KMT2AADORA1ADORA2AADORA2BHRH3
SCHEMBL6134324 0.88 ADORA1 (0.47) KMT2AADORA1ADORA2AADORA2B
SCHEMBL6133399 0.87 ADORA1 (0.49) KMT2AADORA1ADORA2AADORA2BRPS6KA3
SCHEMBL6133985 0.87 ADORA1 (0.40) KMT2AMAPTNPSR1ADORA1ADORA2A
SCHEMBL6133595 0.87 KMT2A (0.58) KMT2AMAPTMAPK1NPSR1L3MBTL1
SCHEMBL6134359 0.86 RPS6KA3 (0.42) KMT2AADORA1ADORA2AADORA2BRPS6KA3
SCHEMBL6133461 0.86 ADORA1 (0.43) KMT2AADORA1ADORA2AADORA2BRPS6KA3

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 KMT2A 1769/4885MAPT 1622/4885MAPK1 3570/4885

“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.