SCHEMBL29317588

SCHEMBL29317588

Cc1cc2nn(C(C)(C)C)cc2cn1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
UHRF1 Q96T88 1/20 0.31

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
SCHEMBL15980356 0.76 MAPT (0.47) CYP1A2CYP2A6UHRF1
SCHEMBL14577596 0.69 NQO2 (0.39) CYP1A2CYP2A6
SCHEMBL15935260 0.69 HASPIN (0.31)
SCHEMBL15910805 0.68 KDM4E (0.61)
SCHEMBL13684173 0.66 SLC6A2 (0.36) CYP1A2
SCHEMBL21214991 0.66 LATS1 (0.33)
SCHEMBL22790582 0.64 SCN10A (0.38)
SCHEMBL18266963 0.63 CYP1A2 (0.67) CYP1A2CYP2A6UHRF1
SCHEMBL22790581 0.63
SCHEMBL12965817 0.62 CYP1A2 (0.46) CYP1A2CYP2A6UHRF1

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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 CYP1A2 48/4885CYP2A6 66/4885UHRF1 702/4885

“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.