SCHEMBL23970945

SCHEMBL23970945

CC(C)c1ccnc(C(F)(F)F)c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
HSD17B10 Q99714 1/20 0.32
DYRK1A Q13627 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL12263231 0.81 HTT (0.32) HTTHSD17B10DYRK1ALMNATSHR
SCHEMBL23619725 0.81 AAK1 (0.32) HTTHSD17B10DYRK1ALMNATSHR
SCHEMBL22260429 0.79 HTT (0.31) HTTHSD17B10DYRK1ANPSR1
SCHEMBL22260115 0.79 HTT (0.37) HTTHSD17B10DYRK1A
SCHEMBL20285954 0.79 PDE2A (0.32) HTTHSD17B10DYRK1AKDM5BLMNA
SCHEMBL10297546 0.74 GABRA1 (0.39) HTTHSD17B10LMNATSHR
SCHEMBL17586751 0.74 RPS6KA3 (0.38)
SCHEMBL25897502 0.72 RPS6KA3 (0.31)
SCHEMBL22870345 0.71 CYP2A6 (0.34) LMNATSHR
SCHEMBL15187512 0.71 FAAH (0.30) LMNATSHR

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-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO 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-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 HTT 3084/4885HSD17B10 1341/4885DYRK1A 4071/4885

“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.