SCHEMBL17092324

SCHEMBL17092324

Cc1ncc(C(=O)NCc2cc(C(F)(F)F)ccn2)cn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLS O94925 15/20 0.52
SORT1 Q99523 1/20 0.46
RIPK1 Q13546 1/20 0.46
PPARG P37231 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL13570886 0.81 GLS (0.52) GLSSORT1RIPK1
SCHEMBL11666512 0.81 RHOC (0.53) GLSSORT1HDAC1
SCHEMBL507223 0.79 MLYCD (0.51) GLSSORT1PPARGHDAC1
SCHEMBL17092135 0.78 LMNA (0.48) HDAC3HDAC1HDAC2HDAC6
SCHEMBL30565175 0.77 GLS (0.48) GLSSORT1RIPK1
SCHEMBL17092307 0.75 HSD17B13 (0.50) GLS
SCHEMBL18352884 0.75 GLS (0.53) GLSSORT1
SCHEMBL29351249 0.75 GLS (0.53) GLSSORT1
SCHEMBL29349720 0.74 GLS (0.51) GLSSORT1
SCHEMBL15646326 0.74 NAMPT (0.58) HDAC3HDAC1HDAC2HDAC6

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-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 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-20150266856-A1 RORGamma Modulators RORB, RORA, RORC GLS 1778/4885SORT1 4567/4885RIPK1 2032/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC GLS 1318/4885SORT1 4215/4885RIPK1 1775/4885

“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.