SCHEMBL16471341

SCHEMBL16471341

CC(C)(C)C#Cc1ccc(N=CC=S)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.36
▸ PTPN11 Q06124 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
SCHEMBL17213746 0.80 PTPN11 (0.31) PTPN11
SCHEMBL15556329 0.78 TDP1 (0.35) PTPN11
SCHEMBL16471305 0.77 TRPV4 (0.44) KMT2A
SCHEMBL16471338 0.70 KMT2A (0.40) KMT2A
SCHEMBL15556764 0.68 CYP3A4 (0.44) PTPN11
SCHEMBL16471319 0.68 KMT2A (0.41) KMT2A
SCHEMBL30632023 0.68 PYCR1 (0.34) PTPN11
SCHEMBL22881654 0.68 PTPN11 (0.33) PTPN11
SCHEMBL21404172 0.68 PYCR1 (0.34) PTPN11
SCHEMBL16471302 0.68 HTR3E (0.38) KMT2A

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-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 — — 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-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KMT2A 4470/4885PTPN11 2138/4885

“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