SCHEMBL1099516

SCHEMBL1099516

COc1cc(N)cc(CN(C(=O)OC(C)(C)C)C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.39
NR1H4 Q96RI1 1/20 0.38
HSD11B1 P28845 1/20 0.37
KDM1A O60341 3/20 0.35
ROCK2 O75116 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTR2A P28223 3/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
THRB P10828 1/20 0.34
ROCK1 Q13464 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4525824 0.88 CETP (0.38) CETPNR1H4HSD11B1KDM1AHDAC8
SCHEMBL4525755 0.86 CETP (0.39) CETPNR1H4HSD11B1KDM1AROCK2
SCHEMBL1099618 0.85 CETP (0.39) CETPNR1H4HSD11B1KDM1AHDAC8
SCHEMBL4529832 0.85 CETP (0.39) CETPNR1H4HSD11B1KDM1AHDAC8
SCHEMBL1098050 0.84 NR1H4 (0.40) CETPNR1H4HSD11B1KDM1AHDAC8
SCHEMBL15417882 0.83 REN (0.42) NR1H4
SCHEMBL1098330 0.83 CETP (0.38) CETPNR1H4HSD11B1KDM1AROCK2
SCHEMBL16471635 0.81 CNR1 (0.39) CETPNR1H4
SCHEMBL4521538 0.81 HSD11B1 (0.45) CETPNR1H4HSD11B1KDM1AROCK2
SCHEMBL21660196 0.79 THRB (0.48) HSD11B1ROCK2THRBROCK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 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 (3 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 CETP 3817/4885NR1H4 1729/4885HSD11B1 3156/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 CETP 3524/4885NR1H4 1635/4885HSD11B1 2546/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 CETP 3573/4885NR1H4 1624/4885HSD11B1 2566/4885

“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.