SCHEMBL22374010

SCHEMBL22374010

Cc1cc(-c2cc(F)cc(C(C)C)c2C)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
DYRK1A Q13627 4/20 0.37
NFATC1 O95644 1/20 0.37
AAK1 Q2M2I8 4/20 0.36
TDO2 P48775 1/20 0.36
UHRF1 Q96T88 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
GRM2 Q14416 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK13 O15264 1/20 0.34
GCGR P47871 1/20 0.34
MAPK12 P53778 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
SCHEMBL20743706 0.85 TDO2 (0.39) CCNCCDK8PSEN1PSEN2APH1B
SCHEMBL30684113 0.85 TDO2 (0.39) CCNCCDK8PSEN1PSEN2APH1B
SCHEMBL22193554 0.84 UHRF1 (0.41) CCNCCDK8PSEN1PSEN2APH1B
SCHEMBL21646546 0.83 NLRP3 (0.44) DYRK1AAAK1PDE3BPDE3AMAPK13
SCHEMBL22280264 0.82 NPY5R (0.39) AAK1MAPK1
SCHEMBL22014403 0.76 METAP2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25505853 0.74 TRPA1 (0.47) CCNCCDK8PSEN1PSEN2APH1B
SCHEMBL16606145 0.73 AAK1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21105125 0.72 RPS6KA3 (0.54) CCNCCDK8PSEN1PSEN2APH1B
SCHEMBL23012631 0.72 ADORA2B (0.37) DYRK1ANFATC1AAK1MAPK13MAPK12

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-20200270227-A1 SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2020-08-27 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-20200270227-A1 SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS NLRP3, NOD1, NLRP1 CCNC 4526/4885CDK8 3771/4885PSEN1 348/4885

“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.