SCHEMBL24335037

SCHEMBL24335037

Cc1cnc(CNc2nccc(-c3ccc(S(C)(=O)=O)cc3)n2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 3/20 0.44
▸ ATR Q13535 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ CDK2 P24941 3/20 0.43
▸ LOXL2 Q9Y4K0 2/20 0.43
▸ LOX P28300 1/20 0.43
▸ MAPK8 P45983 2/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ PTGS2 P35354 9/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ CDK4 P11802 2/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ MAPK9 P45984 1/20 0.41

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
SCHEMBL24334889 0.84 PTGS2 (0.52) ATRLOXL2PTGS2PTGS1
SCHEMBL24334904 0.81 PTGS2 (0.62) PTGS2
SCHEMBL24334956 0.79 PTGS2 (0.54) IKBKBCHUKCDK2MAPK8MAPK10
SCHEMBL24334967 0.77 PTGS2 (0.64) IKBKBPTGS2PTGS1
SCHEMBL24334901 0.76 PTGS2 (0.68) IKBKBPTGS2
SCHEMBL3753567 0.69 IKBKB (0.68) IKBKBCHUKMAPK8MAPK10PTGS2
SCHEMBL3748251 0.69 PTGS2 (0.69) IKBKBCHUKCDK2MAPK8MAPK10
SCHEMBL3747898 0.68 IKBKB (0.56) IKBKBCHUKCDK2MAPK8MAPK10
SCHEMBL13440366 0.68 PIK3CA (0.66) IKBKBCHUKCDK2MAPK8MAPK10
SCHEMBL24334957 0.67 PTGS2 (0.59) PTGS2PTGS1

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-20220106275-A1 RADIOLABELED COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-04-07 — — 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-20220106275-A1 RADIOLABELED COMPOUNDS AND USES THEREOF PAICS, TMEM14C, SLCO1B1 IKBKB 3004/4885ATR 3045/4885CHUK 3205/4885

“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.

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