SCHEMBL25286103

SCHEMBL25286103

CCn1nc(-c2ccc(CBr)cc2)nc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.42
NR1H2 P55055 3/20 0.42
TDP2 O95551 2/20 0.39
PDPK1 O15530 1/20 0.36
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
AOC3 Q16853 4/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
CASP3 P42574 1/20 0.33
TGM3 Q08188 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL30320510 0.86 S1PR1 (0.39) NR1H3NR1H2TDP2RAB9ASMN1; SMN2
SCHEMBL25298095 0.82 USP1 (0.40) NR1H3NR1H2TDP2PDPK1RAB9A
SCHEMBL25288162 0.75 NR1H3 (0.43) NR1H3NR1H2TDP2PDPK1RAB9A
SCHEMBL25251463 0.69 USP1 (0.39) PDPK1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL25791868 0.67 USP1 (0.46) USP1
SCHEMBL16660927 0.66 DGAT1 (0.53) NR1H3NR1H2TP53AHR
SCHEMBL21959073 0.66 ALDH1A1 (0.43) MAPTRAB9ASMN1; SMN2NPC1CYP3A4
SCHEMBL3541038 0.66 LMNA (0.65) MAPTRAB9ASMN1; SMN2NPC1AOC3
SCHEMBL25248168 0.66 SIGMAR1 (0.43) NR1H3NR1H2TDP2PDPK1RAB9A
SCHEMBL13899273 0.66 ADORA3 (0.42) NR1H3NR1H2TDP2SMN1; SMN2ALDH1A1

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 4 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
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 NR1H3 3274/4885NR1H2 3234/4885TDP2 2186/4885

“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.