SCHEMBL23760683

SCHEMBL23760683

FC(F)(F)c1ccc(N2CCC(C(F)(F)F)C2)c2nccnc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.42
MAP3K12 Q12852 1/20 0.39
NCF1 P14598 1/20 0.37
NOTUM Q6P988 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
PDE10A Q9Y233 1/20 0.35
TLR8 Q9NR97 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
HTR2C P28335 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
CYP8B1 Q9UNU6 1/20 0.34
SCD O00767 2/20 0.34
AR P10275 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL23760701 0.85 AR (0.42) NCF1NOTUMPDE10AHTR2CCYP8B1
SCHEMBL21795312 0.85 AR (0.42) NCF1NOTUMPDE10AHTR2CCYP8B1
SCHEMBL21795314 0.81 RBP4 (0.36) NCF1NOTUMCYP8B1ARPDE3B
SCHEMBL21645233 0.81 TLR8 (0.55) NOTUMTLR8
SCHEMBL18991731 0.80 KDM4E (0.49) MAP4K4NOTUMSCN10APDE3BPDE3A
Hydrochloric Acid SCHEMBL21645106 0.80 TLR8 (0.54) NOTUMTLR8
Hydrochloric Acid SCHEMBL21645107 0.80 TLR8 (0.54) NOTUMTLR8
Hydrochloric Acid SCHEMBL21645109 0.80 TLR8 (0.54) NOTUMTLR8
SCHEMBL28662001 0.79 PIM2 (0.46)
SCHEMBL30571038 0.79 PIM2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 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-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE ARG1, PRMT1, PADI1 MAP4K4 2591/4885MAP3K12 3123/4885NCF1 710/4885

“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.