SCHEMBL17896328

SCHEMBL17896328

CC(C)c1cc(F)cc(NC(=O)CC2CCCO2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.52
NAMPT P43490 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 5/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A9 P48067 1/20 0.38

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
SCHEMBL15587812 0.84 MAP4K4 (0.54) MAP4K4NAMPTTDP1HPGDPOLB
SCHEMBL17896341 0.82 MAP4K4 (0.52) MAP4K4NAMPTTDP1HPGDLMNA
SCHEMBL18626608 0.82 L3MBTL1 (0.50) MAP4K4NAMPTTDP1HPGDCYP2C19
SCHEMBL17896335 0.80 POLB (0.60) MAP4K4HPGDPOLBLMNAKDM4E
SCHEMBL17896325 0.72 MAP4K4 (0.48) MAP4K4LMNAMAPTRAB9ANPC1
SCHEMBL17896336 0.71 ATM (0.61) MAP4K4TDP1HPGDPOLBLMNA
SCHEMBL19016254 0.71 NPC1 (0.46) MAP4K4NAMPTTDP1HPGDCYP2C19
SCHEMBL17896863 0.71 NPC1 (0.69) MAP4K4TDP1HPGDKDM4EMAPT
SCHEMBL15429712 0.69 HPGD (0.47) TDP1HPGDPOLBLMNAKDM4E
SCHEMBL21282782 0.69 GAA (0.51) MAP4K4TDP1POLBLMNAKDM4E

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 MAP4K4 700/4885NAMPT 616/4885TDP1 883/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885NAMPT 391/4885TDP1 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.