SCHEMBL6133485

SCHEMBL6133485

CC(C)n1nc(-c2cnc(N(C)C)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.44
CYP1A2 P05177 13/20 0.44
CASP1 P29466 13/20 0.44
CASP7 P55210 13/20 0.44
HIF1A Q16665 11/20 0.44
HSD17B10 Q99714 11/20 0.44
CYP2C9 P11712 6/20 0.44
CYP2C19 P33261 5/20 0.44
GLA P06280 3/20 0.44
MAPK1 P28482 3/20 0.44
TP53 P04637 2/20 0.44
USP2 O75604 8/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
CYP3A4 P08684 3/20 0.42
ALOX15 P16050 5/20 0.40
TSHR P16473 5/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6133753 0.88 TP53 (0.38) ALDH1A1CYP1A2CASP1CASP7HIF1A
SCHEMBL6134738 0.85 ADORA3 (0.39) ALDH1A1CASP7HSD17B10TP53MEN1
SCHEMBL6134324 0.84 ADORA1 (0.47) KMT2A
SCHEMBL6133995 0.82 TP53 (0.38) ALDH1A1GLATP53MEN1KMT2A
SCHEMBL6134094 0.82 NTRK1 (0.44) TP53MEN1KMT2ANPSR1MERTK
SCHEMBL6135183 0.82 MERTK (0.42) TP53KDM4EPOLBNUDT1MERTK
SCHEMBL6134384 0.81 KMT2A (0.40) ALDH1A1CYP1A2CASP1CASP7HIF1A
SCHEMBL6134200 0.81 POLB (0.39) ALDH1A1CYP1A2CASP1CASP7HIF1A
SCHEMBL6134812 0.80 MERTK (0.56) CYP1A2CASP1CASP7HIF1ACYP2C9
SCHEMBL6133535 0.80 MERTK (0.34) CYP1A2TP53CYP3A4TSHRKDM4E

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 ALDH1A1 801/4885CYP1A2 1170/4885CASP1 4379/4885

“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.