SCHEMBL6134014

SCHEMBL6134014

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SCD O00767 3/20 0.35
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ESR1 P03372 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
P2RX7 Q99572 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
SCHEMBL6134012 1.00 CNR2 (0.35) CNR2CYP11B1CYP11B2SCDRECQL
SCHEMBL6133456 0.86 CYP11B1 (0.40) CYP11B1CYP11B2LMNAGAAKMT2A
SCHEMBL6133458 0.86 CYP11B1 (0.40) CYP11B1CYP11B2LMNAGAAKMT2A
SCHEMBL6134364 0.85 CYP11B1 (0.42) CYP11B1CYP11B2LMNAALDH1A1
SCHEMBL6133673 0.85 CYP11B1 (0.42) CYP11B1CYP11B2LMNAALDH1A1
SCHEMBL6134293 0.81 LMNA (0.40) RECQLSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL6134296 0.81 LMNA (0.40) RECQLSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL6135967 0.81 CYP11B1 (0.42) CYP11B1CYP11B2SLC6A4
SCHEMBL6135115 0.80 CES2 (0.43) CNR2LMNAGAAKMT2AALDH1A1
SCHEMBL6133711 0.77 CYP1A2 (0.35) LMNAGAAKMT2AALDH1A1PKM

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 CNR2 1036/4885CYP11B1 808/4885CYP11B2 673/4885

“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.