SCHEMBL17896338

SCHEMBL17896338

CC(C)c1cccc(NC(=O)C2CCOCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
RXFP1 Q9HBX9 1/20 0.58
NPSR1 Q6W5P4 1/20 0.51
BRAF P15056 1/20 0.51
MAP4K4 O95819 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
PIP5K1C O60331 1/20 0.47
PIK3CA P42336 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
MAPK14 Q16539 1/20 0.47
FADS1 O60427 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL14441194 0.90 LMNA (0.70) LMNARXFP1NPSR1BRAFALDH1A1
SCHEMBL19540323 0.87 LMNA (0.75) LMNARXFP1NPSR1BRAFALDH1A1
SCHEMBL18626607 0.87 LMNA (0.57) LMNARXFP1NPSR1MAP4K4ALDH1A1
SCHEMBL2245813 0.86 LMNA (0.82) LMNARXFP1NPSR1BRAFALDH1A1
SCHEMBL19539979 0.86 LMNA (0.58) LMNARXFP1NPSR1BRAFALDH1A1
SCHEMBL25683364 0.83 KMT2A (0.61) LMNANPSR1ALDH1A1SMN1; SMN2GAA
SCHEMBL21349098 0.83 LMNA (0.61) LMNARXFP1NPSR1BRAFALDH1A1
SCHEMBL17896779 0.82 NPSR1 (0.76) LMNANPSR1MAP4K4ALDH1A1SMN1; SMN2
SCHEMBL13489877 0.82 PIP5K1C (0.57) LMNANPSR1MAP4K4ALDH1A1SMN1; SMN2
SCHEMBL17896325 0.80 MAP4K4 (0.48) LMNANPSR1MAP4K4MAPK8MAPK10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 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 (2 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-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL LMNA 2293/4885RXFP1 1855/4885NPSR1 3367/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR LMNA 3432/4885RXFP1 135/4885NPSR1 2176/4885

“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.