SCHEMBL1099223

SCHEMBL1099223

CN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.41
BRD4 O60885 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CREBBP Q92793 1/20 0.36
CYP2C19 P33261 1/20 0.35
MAPT P10636 8/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
RAB9A P51151 2/20 0.33
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ALOX5 P09917 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL12185886 0.87 PAX8 (0.39) PAX8BRD4SMN1; SMN2ALDH1A1CREBBP
SCHEMBL15528795 0.85 MAPT (0.36) PAX8SMN1; SMN2ALDH1A1CYP2C19MAPT
SCHEMBL1099324 0.83 USP30 (0.40) SMN1; SMN2CYP2C19MAPTAURKARPS6KB1
SCHEMBL1097623 0.83 MLYCD (0.39) SMN1; SMN2ALDH1A1CYP2C19MAPTAURKA
SCHEMBL1097539 0.81 F2 (0.36) SMN1; SMN2ALDH1A1CYP2C19MAPTAURKA
SCHEMBL1098848 0.81 MAPT (0.36) SMN1; SMN2ALDH1A1CYP2C19MAPTRAB9A
SCHEMBL1794562 0.79 F2 (0.39) SMN1; SMN2ALDH1A1CYP2C19MAPTAURKA
SCHEMBL380709 0.79 ALDH1A1 (0.57) PAX8SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL25886970 0.78 PAX8 (0.43) PAX8BRD4CREBBPKAT6AKAT5
SCHEMBL30615320 0.77 PAX8 (0.44) PAX8BRD4ALDH1A1CREBBPRAB9A

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-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
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 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-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 PAX8 794/4885BRD4 266/4885SMN1; SMN2 3491/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 PAX8 810/4885BRD4 246/4885SMN1; SMN2 3388/4885

“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.