SCHEMBL17109752

SCHEMBL17109752

Cc1cc(C(C)(C)C)nc(C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 2/20 0.35
CCNE2 O96020 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
AURKA O14965 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
LTK P29376 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK8 P49336 1/20 0.32
CLK2 P49760 1/20 0.32
CDK5 Q00535 1/20 0.32

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
SCHEMBL14930775 0.87 HSP90AA1 (0.61) HSP90AA1HSP90AB1KDM4EHTTHSD17B10
SCHEMBL12257766 0.85 KDM4E (0.39) HSP90AA1HSP90AB1KDM4EHSD17B10KMT2A
SCHEMBL13201505 0.83 HSP90AA1 (0.57) HSP90AA1HSP90AB1KDM4EHTTHSD17B10
SCHEMBL11981453 0.82 HSP90AA1 (0.46) HSP90AA1HSP90AB1KDM4EHTTHSD17B10
SCHEMBL27269634 0.79 HSP90AA1 (0.42) HSP90AA1HSP90AB1KDM4EHTTHSD17B10
SCHEMBL27269606 0.79 HSP90AA1 (0.42) HSP90AA1HSP90AB1KDM4EHTTHSD17B10
SCHEMBL2716163 0.78 CA2 (0.39) HSP90AA1HSP90AB1KDM4EHTTHSD17B10
SCHEMBL12553825 0.75 HSP90AA1 (0.42) HSP90AA1HSP90AB1KDM4EHTTHSD17B10
SCHEMBL26022486 0.74 HSP90AA1 (0.41) HSP90AA1HSP90AB1KDM4EHSD17B10
SCHEMBL27270718 0.73 HSP90AA1 (0.38) HSP90AA1HSP90AB1

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-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
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 HSP90AA1 2808/4885HSP90AB1 1904/4885KDM4E 3043/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC HSP90AA1 3054/4885HSP90AB1 2254/4885KDM4E 2426/4885

“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.