SCHEMBL12847484

SCHEMBL12847484

C#CCn1nc(C(C)(C)C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.35
SORT1 Q99523 4/20 0.35
LMNA P02545 1/20 0.33
KDM4E B2RXH2 3/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
GLS O94925 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
SCHEMBL12789850 0.78 GRN (0.35) GRNSORT1KDM4ECNR1CNR2
SCHEMBL13790795 0.77 LMNA (0.39) GRNSORT1LMNAKDM4ECNR1
SCHEMBL16363814 0.77 ALDH1A1 (0.53) LMNAKDM4EALDH1A1GLAGLS
SCHEMBL1133872 0.76 GRN (0.59) GRNSORT1KDM4ECNR1CNR2
SCHEMBL15071315 0.74 CNR1 (0.42) GRNSORT1LMNAKDM4ECNR1
SCHEMBL24884392 0.74 LMNA (0.41) GRNSORT1LMNAKDM4ECNR1
SCHEMBL24884403 0.74 LMNA (0.41) GRNSORT1LMNAKDM4ECNR1
SCHEMBL24884391 0.73 GRN (0.39) GRNSORT1LMNAKDM4ECNR1
SCHEMBL24884406 0.73 LMNA (0.40) GRNSORT1LMNAKDM4ECNR1
SCHEMBL21267630 0.73 GLS (0.39) GRNSORT1LMNAKDM4ECNR1

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
EP-2285805-B1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-07-23 EP disclosed
US-20110053946-A1 Aryl-Quinolyl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-03-03 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 (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-20110053946-A1 Aryl-Quinolyl Compounds and Their Use BRAF, NRAS, ARAF GRN 3128/4885SORT1 3257/4885LMNA 3318/4885

“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.