SCHEMBL12789850

SCHEMBL12789850

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.35
SORT1 Q99523 4/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30
CTSL P07711 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL9906363 0.80 GRN (0.39) GRNSORT1KDM4EALDH1A1NPC1
SCHEMBL12847484 0.78 GRN (0.35) GRNSORT1KDM4EALDH1A1NPC1
SCHEMBL9906364 0.77 CNR1 (0.43) GRNSORT1KDM4EALDH1A1NPC1
SCHEMBL13114437 0.75 CNR1 (0.41) GRNSORT1KDM4EALDH1A1NPC1
SCHEMBL12789841 0.75 GRN (0.36) GRNSORT1KDM4EALDH1A1NPC1
SCHEMBL9908245 0.75 MAPK14 (0.39) GRNSORT1KDM4EALDH1A1NPC1
SCHEMBL1133872 0.75 GRN (0.59) GRNSORT1KDM4EALDH1A1NPC1
SCHEMBL12789845 0.74 GRN (0.37) GRNSORT1KDM4EALDH1A1CNR1
SCHEMBL12789852 0.74 GRN (0.35) GRNSORT1KDM4EALDH1A1NPC1
SCHEMBL12789842 0.73 CRHR1 (0.39) GRNSORT1ALDH1A1CNR1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383816-B2 Aryl-quinolyl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-26 US disclosed
US-8383816-B2 Aryl-quinolyl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-26 US 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 3257/4885KDM4E 791/4885

“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.