SCHEMBL1571809

SCHEMBL1571809

Cn1cc(-c2cc(O)cc([N+](=O)[O-])c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.55
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
CYP19A1 P11511 1/20 0.43
CCNT1 O60563 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CREBBP Q92793 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
AMY1A P0DUB6 1/20 0.38
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL17680435 0.89 CYP19A1 (0.55) ERN1MAPTALDH1A1POLBCYP19A1
SCHEMBL14146277 0.84 ERN1 (0.47) ERN1MKNK1MKNK2AURKATTK
SCHEMBL17680442 0.82 ERN1 (0.49) ERN1MAPTALDH1A1POLBCYP19A1
SCHEMBL1571428 0.82 ERN1 (0.52) ERN1MAPTALDH1A1POLBCYP19A1
SCHEMBL1571837 0.79 CYP19A1 (0.40) ERN1MAPTALDH1A1POLBCYP19A1
SCHEMBL16055423 0.79 ERN1 (0.46) ERN1MAPTALDH1A1POLBCYP19A1
SCHEMBL14863036 0.79 SMN1; SMN2 (0.47) ERN1MAPTALDH1A1POLBCCNT1
SCHEMBL31259643 0.78 CCNC (0.47) ERN1MAPTALDH1A1POLBCYP19A1
SCHEMBL17670401 0.77 ERN1 (0.50) ERN1MAPTALDH1A1POLBCYP19A1
SCHEMBL22466151 0.76 BAZ2B (0.50) ERN1MAPTALDH1A1CCNT1CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO disclosed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 WO disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 WO disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 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 (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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 ERN1 876/4885MAPT 2829/4885ALDH1A1 2630/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 ERN1 984/4885MAPT 2316/4885ALDH1A1 2281/4885

“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.