SCHEMBL30046554

SCHEMBL30046554

Nc1ncncc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.71
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.51
MAP4K4 O95819 1/20 0.49
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 4/20 0.46
KIF11 P52732 2/20 0.46
SLC22A12 Q96S37 1/20 0.44
CLK1 P49759 1/20 0.43
XDH P47989 1/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
KCNH2 Q12809 3/20 0.40
PDE2A O00408 1/20 0.40
CYP17A1 P05093 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
SCHEMBL30046676 0.80 DGAT1 (0.62) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL30046803 0.80 DGAT1 (0.77) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL6068337 0.80 DGAT1 (0.61) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL30047963 0.79 DGAT1 (0.56) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL2424040 0.77 DGAT1 (0.62) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL30782543 0.77 DGAT1 (0.62) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL7006231 0.77 DGAT1 (0.67) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL29655508 0.76 DHFR (0.55) MAP4K4KIF11CLK1
SCHEMBL1388289 0.76 DHFR (0.55) MAP4K4KIF11CLK1
SCHEMBL1270834 0.76 KDM4E (0.64) DGAT1MEN1CYP1A2CYP3A4CYP2C19

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-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2025-05-22 US disclosed
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2022-11-08 US 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 (2 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-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK DGAT1 3032/4885MEN1 3993/4885CYP1A2 4295/4885
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK DGAT1 3032/4885MEN1 3993/4885CYP1A2 4295/4885

“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.