SCHEMBL25522267

SCHEMBL25522267

Cc1nc(C(F)(F)F)cn1C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 2/20 0.36
ACHE P22303 1/20 0.33
WDR5 P61964 1/20 0.32
KRAS P01116 2/20 0.32
SOS1 Q07889 2/20 0.32
PTGS2 P35354 3/20 0.31
PTGS1 P23219 2/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TLR8 Q9NR97 1/20 0.31
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
KHK P50053 2/20 0.30
IDH1 O75874 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
ELANE P08246 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
SCHEMBL23264473 0.80 MAP3K12 (0.35) MAP3K12
SCHEMBL25520523 0.80 MAP3K12 (0.38) MAP3K12WDR5
SCHEMBL23264163 0.79 MAP3K12 (0.53) MAP3K12KRASSOS1CCNT1CDK9
SCHEMBL15779563 0.77 PTGS2 (0.33) PTGS2PTGS1
SCHEMBL23264161 0.72 MAP3K12 (0.33) MAP3K12
SCHEMBL15779131 0.72 FKBP1A (0.34)
SCHEMBL25517541 0.72 MAP3K12 (0.33) MAP3K12
Hydrochloric Acid SCHEMBL23389315 0.71 ALDH1A1 (0.38) MAP3K12WDR5CCNT1CDK9
SCHEMBL31155892 0.71 USP1 (0.41) MAP3K12PTGS2
SCHEMBL25975182 0.71 CYP11B2 (0.40) PTGS2

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-11739077-B2 Small molecule inhibitors of ubiquitin specific protease 1 (USP1) and uses thereof INSILICO MEDICINE IP LIMITED (HK) 2023-08-29 US disclosed
US-20230183210-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2023-06-15 US disclosed
WO-2023083286-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 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 (2 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-20230183210-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF USP1, USP2, USP28 MAP3K12 1337/4885ACHE 1942/4885WDR5 983/4885
US-11739077-B2 Small molecule inhibitors of ubiquitin specific protease 1 (USP1) and uses thereof USP1, USP2, USP28 MAP3K12 1337/4885ACHE 1942/4885WDR5 983/4885

“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.