SCHEMBL6133925

SCHEMBL6133925

CC(C)n1nc(CC(=O)c2ccccc2C(F)(F)F)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.41
WNT3A P56704 7/20 0.41
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 1/20 0.35
P2RX7 Q99572 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL6133646 0.85 PTPN1 (0.39) CTNNB1WNT3AGAAPOLBNPC1
SCHEMBL6539165 0.81 POLB (0.38) LMNAGAAPOLBNPC1RAB9A
SCHEMBL6134014 0.71 CNR2 (0.35) CTNNB1WNT3ARECQLLMNAGAA
SCHEMBL6134012 0.71 CNR2 (0.35) CTNNB1WNT3ARECQLLMNAGAA
SCHEMBL23370058 0.70 POLB (0.36) POLBP2RX7
SCHEMBL21630213 0.69 CTNNB1 (0.48) CTNNB1WNT3ALMNAGAACNR2
SCHEMBL6133993 0.67 FFAR1 (0.36) ESR1
SCHEMBL29410857 0.67 CTNNB1 (0.57) CTNNB1WNT3ALMNAGAACNR2
SCHEMBL1950901 0.67 CTNNB1 (0.57) CTNNB1WNT3ALMNAGAACNR2
SCHEMBL30089582 0.66 CTNNB1 (0.75) CTNNB1WNT3ALMNAGAACNR2

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 CTNNB1 419/4885WNT3A 1566/4885RECQL 45/4885

“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.