SCHEMBL17896331

SCHEMBL17896331

CC(=O)Nc1cc(F)cc(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 2/20 0.50
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
XBP1 P17861 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
IDO1 P14902 1/20 0.43
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
MAP4K4 O95819 1/20 0.39

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
SCHEMBL14200242 0.87 ALDH1A1 (0.60) ALDH1A1GAATDP1LMNAMEN1
SCHEMBL30977688 0.86 MAPT (0.54) LMNAMAPTSMN1; SMN2NR2E1
SCHEMBL12144643 0.86 MAPT (0.54) LMNAMAPTSMN1; SMN2NR2E1
SCHEMBL7978815 0.82 LMNA (0.58) ALDH1A1GAATDP1LMNAMEN1
SCHEMBL13414535 0.82 LMNA (0.58) ALDH1A1GAATDP1LMNAMEN1
SCHEMBL17896330 0.81 MEN1 (0.41) ALDH1A1GAATDP1MEN1KMT2A
SCHEMBL12187500 0.79 ALDH1A1 (0.51) ALDH1A1GAATDP1LMNAMEN1
SCHEMBL11930067 0.77 ALDH1A1 (0.50) ALDH1A1GAATDP1LMNAMEN1
SCHEMBL17896333 0.77 NPSR1 (0.51) GAALMNAMEN1KMT2AMAP4K4
SCHEMBL26682976 0.77 RAPGEF4 (0.41) MEN1KMT2AMAPTSMN1; SMN2NPC1

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 7 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-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 ALDH1A1 534/4885GAA 4072/4885TDP1 883/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR ALDH1A1 586/4885GAA 4340/4885TDP1 2749/4885

“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.