SCHEMBL1396331

SCHEMBL1396331

O=[N+]([O-])c1ccc(Oc2ccnn3cccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
HSPB1 P04792 3/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP19A1 P11511 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
AXL P30530 4/20 0.39
MET P08581 2/20 0.39
SCN4A P35499 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1964982 0.81 HSPB1 (0.48) HSPB1MEN1KMT2AHTTALDH1A1
SCHEMBL12405902 0.81 ALDH1A1 (0.41) HSPB1KDM4EMEN1KMT2AHTT
SCHEMBL16863281 0.76 HSPB1 (0.42) ATMHSPB1KDM4EMEN1KMT2A
SCHEMBL3484559 0.76 KMT2A (0.56) HSPB1KDM4EMEN1KMT2AHTT
SCHEMBL16863242 0.72 AXL (0.45) MEN1KMT2AALDH1A1AXLMET
SCHEMBL7632959 0.71 HSPB1 (0.66) HSPB1KDM4EMEN1KMT2AHTT
SCHEMBL30545049 0.71 HSPB1 (0.45) ATMHSPB1MEN1KMT2AHTT
SCHEMBL18186591 0.70 AXL (0.52) ATMAXLMET
SCHEMBL16863307 0.69 PARP10 (0.51) KMT2AALDH1A1AXLMET
SCHEMBL11689190 0.69 HSPB1 (0.79) HSPB1KDM4EMEN1KMT2AHTT

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-20130165445-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2013-06-27 US disclosed
US-20130165445-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2013-06-27 US disclosed
EP-2288611-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2013-05-15 EP disclosed
US-8404694-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-03-26 US disclosed
US-8404694-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-03-26 US disclosed
US-20110065709-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-03-17 US disclosed
US-20110065709-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-03-17 US disclosed
EP-2288611-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen Inc. (US) 2011-03-02 EP disclosed
WO-2009117157-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2009-09-24 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-20110065709-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB ATM 225/4885HSPB1 3524/4885KDM4E 882/4885
US-20130165445-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB ATM 225/4885HSPB1 3524/4885KDM4E 882/4885

“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.