SCHEMBL6134812

SCHEMBL6134812

CC(C)n1nc(-c2cnc(Nc3ccccc3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.56
CDK4 P11802 8/20 0.53
CCND1 P24385 8/20 0.53
CCND2 P30279 8/20 0.53
CCND3 P30281 8/20 0.53
CYP1A2 P05177 3/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HIF1A Q16665 1/20 0.47
PTGS2 P35354 1/20 0.45
CCNA2 P20248 3/20 0.45
CDK2 P24941 3/20 0.45
CCNA1 P78396 3/20 0.45
AURKA O14965 1/20 0.45
PLK1 P53350 1/20 0.45
CYP3A4 P08684 2/20 0.45

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
SCHEMBL6135183 0.89 MERTK (0.42) MERTKCDK4CCND1CCND2CCND3
SCHEMBL6133749 0.85 TP53 (0.44) MERTKCDK4CCND1CCND2CCND3
SCHEMBL6134592 0.84 ADORA1 (0.47) MERTKMEN1KMT2ACCNA2CDK2
SCHEMBL6134405 0.83 KDM4E (0.40) MERTKCDK4CCND1CCND2CCND3
SCHEMBL6134310 0.83 GAA (0.45) MERTKCYP1A2CYP2C19CCNA2CDK2
SCHEMBL6135441 0.83 POLB (0.47) MERTKMEN1KMT2ACCNA2CDK2
SCHEMBL6134324 0.82 ADORA1 (0.47) KMT2A
SCHEMBL6134588 0.82 ADORA1 (0.48) MERTKMEN1KMT2A
SCHEMBL6135245 0.82 CCNA2 (0.40) MERTKMEN1USP2KMT2AHIF1A
SCHEMBL6133427 0.81 LMNA (0.46) GSK3B

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 2751/4885CDK4 1261/4885CCND1 1092/4885

“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.