SCHEMBL6133595

SCHEMBL6133595

COc1ccc(-c2nc(N)ncc2-c2ccc(=O)n(C(C)C)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.46
MAPK10 P53779 2/20 0.46
MAPK1 P28482 1/20 0.46
PTK2B Q14289 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
SRC P12931 4/20 0.44
ABL1 P00519 3/20 0.44
HCK P08631 2/20 0.44
EGFR P00533 2/20 0.44
PIK3CD O00329 1/20 0.44
KDR P35968 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44

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
SCHEMBL6134108 0.90 KMT2A (0.45) KMT2AMAPTTP53TSHRHTT
SCHEMBL6134257 0.89 KMT2A (0.44) KMT2AMAPTMAPK10SRCABL1
SCHEMBL6134496 0.89 KMT2A (0.45) KMT2AMAPTTP53TSHRHTT
SCHEMBL6134263 0.89 KMT2A (0.44) KMT2AMAPTTP53TSHRHTT
SCHEMBL6134159 0.88 RPS6KA3 (0.46) KMT2AHTTPIK3CAMTORADORA1
SCHEMBL6133581 0.88 ADORA1 (0.49) KMT2AMAPTTP53TSHRHTT
SCHEMBL6133633 0.88 HRH3 (0.47) KMT2ASRCABL1HCKADORA1
SCHEMBL6134091 0.88 HRH3 (0.45) KMT2AMAPTTP53TSHRMAPK1
SCHEMBL6134637 0.88 ADORA2A (0.56) KMT2AMAPTTP53TSHRHTT
SCHEMBL6135983 0.87 HRH3 (0.44) KMT2AMAPTMAPK1SRCABL1

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 1622/4885TP53 2834/4885

“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.