SCHEMBL21023352

SCHEMBL21023352

Cc1ccc(N2CCCC2)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
IP6K1 Q92551 1/20 0.33
PTGES O14684 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 5/20 0.33
MAP4K4 O95819 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
PTGS1 P23219 3/20 0.32
ACVR1 Q04771 1/20 0.32
C1S P09871 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
SCHEMBL19748809 0.79 PTGS2 (0.42) MAPTPTGS2AURKAAURKBPTGS1
SCHEMBL19748145 0.78 PTGES (0.38) PTGESPTGS2MAP4K4PTGS1
SCHEMBL20919458 0.78 AURKA (0.33) PTGESAURKAAURKB
SCHEMBL30986326 0.78 AURKA (0.32) AURKAAURKB
SCHEMBL30986329 0.78 AURKA (0.32) AURKAAURKB
SCHEMBL20919547 0.78 AURKA (0.32) AURKAAURKB
SCHEMBL20918599 0.78 GCK (0.33) AURKAAURKB
SCHEMBL30704800 0.77 AURKA (0.32) AURKAAURKB
SCHEMBL20919318 0.77 AURKA (0.34) AURKAAURKB
SCHEMBL20919358 0.76 PDE2A (0.32) AURKAAURKB

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-10738057-B2 Tertiary alcohols as PI3K-γ inhibitors INCYTE CORPORATION (US) 2020-08-11 US disclosed
US-20190152975-A1 TERTIARY ALCOHOLS AS PI3K-y INHIBITORS INCYTE CORPORATION 2019-05-23 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-20190152975-A1 TERTIARY ALCOHOLS AS PI3K-y INHIBITORS PIK3R5, PIK3R1, PIK3CD DHFR 4429/4885SMN1; SMN2 1125/4885ALDH1A1 333/4885
US-10738057-B2 Tertiary alcohols as PI3K-γ inhibitors PIK3R5, PIK3CG, PIK3CD DHFR 4065/4885SMN1; SMN2 1086/4885ALDH1A1 155/4885

“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.