SCHEMBL22601552

SCHEMBL22601552

CC(C)(C)c1cc(-n2cnc(C3CC3)c2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.40

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
SCHEMBL22601555 0.79 MAP3K5 (0.36) MAP3K5
SCHEMBL28848714 0.78 MAP3K5 (0.42) MAP3K5
SCHEMBL21461042 0.78 MAP3K5 (0.42) MAP3K5
SCHEMBL28653518 0.78 MAP3K5 (0.43) MAP3K5
SCHEMBL23510668 0.78 MAP3K5 (0.45) MAP3K5
SCHEMBL21461157 0.74 MAP3K5 (0.52) MAP3K5
SCHEMBL235293 0.74 MAP3K5 (0.52) MAP3K5
SCHEMBL21848985 0.74 CYP2C9 (0.36)
Hydrochloric Acid SCHEMBL28657089 0.73 MAP3K5 (0.51) MAP3K5
SCHEMBL28668610 0.73 MAP3K5 (0.53) MAP3K5

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 MAP3K5 18/4885

“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.