SCHEMBL1099162

SCHEMBL1099162

COc1cc(CNC2CC2)cc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TSHR P16473 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 3/20 0.52
CXCR4 P61073 1/20 0.49
GRIN2B Q13224 1/20 0.45
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4526961 0.88 NPBWR1 (0.50) ALDH1A1TSHRL3MBTL1POLBCXCR4
SCHEMBL57079 0.83 ALDH1A1 (0.86) ALDH1A1TSHRL3MBTL1POLBKMT2A
SCHEMBL1098879 0.82 POLB (0.55) ALDH1A1TSHRL3MBTL1POLBCXCR4
SCHEMBL1097218 0.79 POLB (0.55) ALDH1A1TSHRPOLBCXCR4GRIN2B
SCHEMBL4531901 0.79 POLB (0.55) ALDH1A1TSHRPOLBCXCR4GRIN2B
SCHEMBL29578991 0.76 ALDH1A1 (0.73) ALDH1A1TSHRL3MBTL1POLBKMT2A
SCHEMBL4531997 0.75 POLB (0.86) ALDH1A1TSHRPOLBGRIN2BKMT2A
SCHEMBL309863 0.74 LMNA (0.61) ALDH1A1TSHRKMT2AKDM4ELMNA
SCHEMBL8008016 0.74 PTGS1 (0.59) ALDH1A1TSHRKMT2AKDM4ELMNA
SCHEMBL1098058 0.73 LMNA (0.46) ALDH1A1TSHRL3MBTL1POLBKMT2A

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 9 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
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO 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 (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 ALDH1A1 2449/4885TSHR 2524/4885L3MBTL1 3948/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 ALDH1A1 2094/4885TSHR 2276/4885L3MBTL1 3818/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 ALDH1A1 2331/4885TSHR 2496/4885L3MBTL1 3855/4885

“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.