SCHEMBL26050433

SCHEMBL26050433

CC(C)C(F)(F)c1ccnc(C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.35
MYC P01106 1/20 0.35
SCN10A Q9Y5Y9 3/20 0.34
AR P10275 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
XDH P47989 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
NPY5R Q15761 1/20 0.32
CTSS P25774 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
KDR P35968 1/20 0.32
HDAC4 P56524 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
SCHEMBL24111506 0.81 MYC (0.37) IDH1MYCSCN10ANOS3NOS2
SCHEMBL2334808 0.80 NOS3 (0.52) MYCSCN10ANOS3NOS2XDH
SCHEMBL29775960 0.80 NOS3 (0.52) MYCSCN10ANOS3NOS2XDH
SCHEMBL803414 0.77 ALDH1A1 (0.40) MYCXDHABCG2NPY5RCTSS
SCHEMBL13737546 0.77 MYC (0.35) IDH1MYCSCN10AARNOS3
SCHEMBL2332728 0.73 IDH1 (0.39) IDH1MYCSCN10AARAAK1
SCHEMBL19309176 0.72 PRKCQ (0.37) MYCAAK1XDHABCG2
SCHEMBL13736445 0.72 SCN10A (0.37) IDH1MYCSCN10AARNOS3
SCHEMBL21971670 0.71 MYC (0.36) IDH1MYCAAK1XDHABCG2
SCHEMBL24027426 0.71 MYC (0.36) MYCSCN10AXDHABCG2NPY5R

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-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-08-24 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 (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-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 IDH1 2945/4885MYC 4138/4885SCN10A 2093/4885

“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.