SCHEMBL4536003

SCHEMBL4536003

COc1cc(N)ccc1CN(C(=O)OC(C)(C)C)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HTR2A P28223 6/20 0.41
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
REN P00797 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 2/20 0.36
HTR4 Q13639 2/20 0.36
HSD11B1 P28845 1/20 0.35
ABL1 P00519 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL4528051 0.85 SLC6A4 (0.43) HTR2ANR1H4REN
SCHEMBL4526670 0.83 REN (0.43) HTR2ARENMEN1KMT2AHSD11B1
SCHEMBL4528645 0.82 GAA (0.43) GAAMAPTHTTALDH1A1NPSR1
SCHEMBL27080132 0.79 PYCR1 (0.39) TSHRGAAHTR2ANR1H4PTGDR2
SCHEMBL4521538 0.77 HSD11B1 (0.45) NR1H4RENHSD11B1
SCHEMBL29983722 0.77 HTR2A (0.42) HTR2ANR1H4KMT2AHSD11B1
SCHEMBL1099516 0.75 CETP (0.39) HTR2ANR1H4KMT2AHSD11B1
SCHEMBL7425320 0.75 KDM4E (0.38) GAAMAPTHTTHTR2AALDH1A1
SCHEMBL7429986 0.75 ALOX15 (0.42) MAPTHTR2AALDH1A1RENHSD11B1
SCHEMBL4090961 0.75 PTGDR2 (0.35) TSHRHTR2ANR1H4PTGDR2REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 TSHR 2524/4885GAA 3392/4885MAPT 3649/4885

“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.