SCHEMBL25792162

SCHEMBL25792162

CCn1cc(C(F)(F)F)nc1-c1ccc(N)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 5/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
RAD52 P43351 1/20 0.32
GABRA1 P14867 3/20 0.31
GABRG2 P18507 3/20 0.31
GABRB3 P28472 3/20 0.31
GABRA2 P47869 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA5 P31644 1/20 0.31
XDH P47989 1/20 0.31
USP1 O94782 1/20 0.31

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
SCHEMBL25791925 0.82 USP1 (0.39) PTGS2KDM4EGLAPOLBGAA
SCHEMBL30319724 0.82 GABRA1 (0.41) SCN9APTGS2GABRA1GABRG2GABRB3
SCHEMBL25792163 0.81 LMNA (0.42) SCN9APTGS2ALDH1A1LMNAGAA
SCHEMBL30320358 0.81 LMNA (0.42) SCN9APTGS2ALDH1A1LMNAGAA
SCHEMBL25792000 0.79 PTGS2 (0.40) PTGS2KDM4EALDH1A1GAATSHR
SCHEMBL25791923 0.74 DGAT1 (0.43) SCN9APTGS2KDM4EALDH1A1USP1
SCHEMBL23910008 0.72 KDM4E (0.43) PTGS2KDM4EUSP2ALDH1A1LMNA
SCHEMBL25975183 0.72 SCN9A (0.45) SCN9APTGS2KDM4ELMNAGAA
SCHEMBL20329866 0.71 CYP3A4 (0.37) KDM4EUSP2ALDH1A1LMNAPOLB
SCHEMBL30320344 0.70 PTGS2 (0.44) PTGS2USP1DGAT1

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-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
EP-4161494-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2023-04-12 EP 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-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, USP8, USP7 SCN9A 3627/4885PTGS2 4515/4885KDM4E 679/4885

“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.