SCHEMBL22487932

SCHEMBL22487932

CCC(C)(C)c1nc2c([nH]1)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.35
SMPD3 Q9NY59 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
SCHEMBL22487904 0.96 HRH4 (0.32) HRH4SMPD3
SCHEMBL22487915 0.83 HRH4 (0.31) HRH4SMPD3
SCHEMBL14008901 0.81 HRH4 (0.38) HRH4SMPD3
SCHEMBL19012501 0.79 HRH4 (0.37) HRH4SMPD3
SCHEMBL22487889 0.77 HRH4 (0.35) HRH4SMPD3
SCHEMBL31389798 0.73 HRH4 (0.35) HRH4SMPD3
SCHEMBL20220763 0.72 HRH4 (0.34) HRH4SMPD3
SCHEMBL9178197 0.69 HRH4 (0.38) HRH4SMPD3
SCHEMBL22858756 0.67 HRH4 (0.36) HRH4SMPD3
SCHEMBL171272 0.66 HAVCR2 (0.48) HRH4SMPD3

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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS HRH4 1445/4885SMPD3 1231/4885

“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.