SCHEMBL25068864

SCHEMBL25068864

CC(C)c1cnccc1Nc1nc(NC2CCOCC2)ncc1Cl

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK3 P27361 6/20 0.64
▸ MAPK1 P28482 5/20 0.64
▸ CDK7 P50613 7/20 0.46
▸ CDK9 P50750 6/20 0.46
▸ PTK2 Q05397 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ AOC3 Q16853 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
SCHEMBL23408943 0.86 MAPK1 (0.67) MAPK3MAPK1CDK7CDK9PTK2
SCHEMBL23409118 0.84 MAPK3 (0.67) MAPK3MAPK1CDK7CDK9PTK2
SCHEMBL25068958 0.84 MAPK1 (0.64) MAPK3MAPK1CDK7CDK9PTK2
SCHEMBL25068863 0.84 MAPK3 (0.66) MAPK3MAPK1CDK7CDK9PTK2
SCHEMBL25068865 0.78 MAPK1 (0.51) MAPK3MAPK1CDK7CDK9KCNH2
SCHEMBL23388552 0.76 MAPK3 (0.63) MAPK3MAPK1CDK7CDK9PTK2
SCHEMBL24650690 0.74 MAPK1 (0.57) MAPK3MAPK1CDK2MAPK8MAPK9
SCHEMBL23408957 0.74 MAPK1 (0.53) MAPK3MAPK1CDK7CDK9PTK2
SCHEMBL29499572 0.74 MAPK1 (0.56) MAPK3MAPK1CDK7CDK9PTK2
SCHEMBL28744841 0.74 MAPK1 (0.56) MAPK3MAPK1CDK7CDK9PTK2

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-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2023-02-23 — — 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-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF FURIN, PFAS, CFTR MAPK3 3458/4885MAPK1 4417/4885CDK7 3656/4885

“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.

Send feedback