SCHEMBL17896325

SCHEMBL17896325

CC(C)c1cc(F)cc(NC(=O)C2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.48
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC3 O15379 1/20 0.45
MAPK10 P53779 3/20 0.45
MAPK8 P45983 2/20 0.45
MAPK14 Q16539 2/20 0.45
MAPT P10636 1/20 0.45
SLC6A9 P48067 1/20 0.44
LMNA P02545 2/20 0.42
BRPF1 P55201 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SHMT2 P34897 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL332276 0.86 MAP4K4 (0.56) MAP4K4HDAC1HDAC2HDAC3MAPK10
SCHEMBL15587796 0.82 NPSR1 (0.59) MAP4K4HDAC1HDAC2HDAC3MAPK10
SCHEMBL8410878 0.81 MAP4K4 (0.52) MAP4K4HDAC1HDAC2HDAC3MAPK10
SCHEMBL17896338 0.80 LMNA (0.62) MAP4K4MAPK10MAPK8MAPK14LMNA
SCHEMBL17896335 0.80 POLB (0.60) MAP4K4LMNAMEN1KMT2ANPC1
SCHEMBL25683364 0.79 KMT2A (0.61) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL19015883 0.79 SMN1; SMN2 (0.50) MAP4K4HDAC1HDAC2HDAC3MAPK10
SCHEMBL21064114 0.76 CSNK1D (0.38) MAPK14BACE1
SCHEMBL28872344 0.75 SMN1; SMN2 (0.56) MAP4K4HDAC1HDAC2HDAC3MAPK10
SCHEMBL21282782 0.74 GAA (0.51) MAP4K4HDAC1HDAC2HDAC3MAPT

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-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 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 MAP4K4 700/4885HDAC1 957/4885HDAC2 1015/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885HDAC1 991/4885HDAC2 1399/4885

“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.