SCHEMBL19737072

SCHEMBL19737072

CC(C)c1cncc(-c2cc(O)no2)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.34
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
TSHR P16473 1/20 0.32
PTPN1 P18031 1/20 0.31
MLLT1 Q03111 1/20 0.31
TP53 P04637 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL8375803 0.78 THRB (0.51) LMNAMAPTTHRBTSHRPTPN1
SCHEMBL17858732 0.78 CYP2A6 (0.42) CYP11B1CYP11B2TP53
SCHEMBL19736894 0.77 MLLT1 (0.45) LMNAMAPTTHRBTSHRPTPN1
SCHEMBL21083201 0.74 S1PR1 (0.34) PTPN1GABRA1GABRB2
SCHEMBL16775708 0.71 LMNA (0.46) LMNACYP11B1CYP11B2
SCHEMBL17773147 0.69 TAAR1 (0.42) LMNAMAPTTHRBTSHRTP53
SCHEMBL8378894 0.68 CYP2A6 (0.48) MAPTCYP11B1CYP11B2TP53
SCHEMBL19756421 0.67 PRMT5 (0.40) PRMT5WDR77CYP11B1CYP11B2
SCHEMBL725480 0.67 PRMT5 (0.34) LMNAPRMT5WDR77CYP11B1CYP11B2
SCHEMBL26244710 0.67 CYP11B1 (0.33) LMNAPRMT5WDR77CYP11B1CYP11B2

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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 LMNA 4781/4885MAPT 3279/4885THRB 2387/4885

“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.