SCHEMBL6133535

SCHEMBL6133535

CC(C)n1nc(-c2cnc([S+](C)[O-])nc2-c2ccccc2)ccc1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.34
TP53 P04637 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ADORA2A P29274 2/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
POLB P06746 1/20 0.32
P2RY6 Q15077 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31
HSD11B1 P28845 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL6134324 0.82 ADORA1 (0.47) ADORA2A
SCHEMBL6134094 0.80 NTRK1 (0.44) MERTKTP53ADORA2A
SCHEMBL6133485 0.80 ALDH1A1 (0.44) MERTKTP53POLBCYP1A2CYP3A4
SCHEMBL6135183 0.80 MERTK (0.42) MERTKTP53ADORA2APOLBCDK4
SCHEMBL6134812 0.78 MERTK (0.56) MERTKCDK4CCND1CCND2CCND3
SCHEMBL6133753 0.77 TP53 (0.38) MERTKTP53HRH3ADORA2ABMPR1B
SCHEMBL6133749 0.77 TP53 (0.44) MERTKTP53POLBCDK4CCND1
SCHEMBL6134592 0.76 ADORA1 (0.47) MERTKTP53ADORA2APOLBTSHR
SCHEMBL6134310 0.75 GAA (0.45) MERTKTP53ADORA2ACYP1A2CYP3A4
SCHEMBL6134738 0.75 ADORA3 (0.39) MERTKTP53HRH3ADORA2APOLB

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 MERTK 2751/4885TP53 2834/4885HRH3 367/4885

“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.