SCHEMBL4513573

SCHEMBL4513573

COc1cc(NC[C@H](C)O)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 4/20 0.39
HTT P42858 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RX3 P56373 2/20 0.37
P2RX2 Q9UBL9 2/20 0.37
APP P05067 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL5182524 1.00 ALDH1A1 (0.45) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL6284037 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL4864122 0.79 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRTDP1MAPT
SCHEMBL14243386 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL4534380 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL13393646 0.77 ALDH1A1 (0.44) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL4517337 0.76 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPTHTT
SCHEMBL14180556 0.76 ALDH1A1 (0.49) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL6142613 0.76 ALDH1A1 (0.49) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL4828261 0.75 ALDH1A1 (0.46) ALDH1A1CYP3A4HSD17B10TSHRTDP1

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 ALDH1A1 2449/4885CYP3A4 325/4885HSD17B10 4746/4885

“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.