SCHEMBL580885

SCHEMBL580885

COc1ccc(Cc2nnc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.62
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
MAPT P10636 1/20 0.59
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
LTA4H P09960 1/20 0.51
CDK1 P06493 2/20 0.51
IGF1R P08069 2/20 0.51
FGFR1 P11362 2/20 0.51
BRAF P15056 2/20 0.51
FGFR2 P21802 2/20 0.51
FGFR4 P22455 2/20 0.51
FGFR3 P22607 2/20 0.51
JAK1 P23458 2/20 0.51
CDK2 P24941 2/20 0.51

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
SCHEMBL13996077 0.83 NPSR1 (0.66) ALDH1A1LMNAHTTNPSR1MAPT
SCHEMBL580901 0.81 NPSR1 (0.49) KDRALDH1A1LMNAHTTNPSR1
SCHEMBL580401 0.79 KDR (0.63) KDRALDH1A1LMNAHTTNPSR1
SCHEMBL10217412 0.79 FLT1 (0.60) KDRLMNAHTTNPSR1
SCHEMBL28672895 0.77 HPGD (0.66) ALDH1A1LMNAHTTNPSR1MAPT
SCHEMBL28251888 0.75 LTA4H (0.53) KDRALDH1A1LMNAHTTNPSR1
SCHEMBL28932032 0.75 HPGD (0.67) ALDH1A1LMNAHTTNPSR1MAPT
SCHEMBL6588206 0.75 PDE4A (0.61) KDRALDH1A1LMNAHTTNPSR1
SCHEMBL10217415 0.75 MEN1 (0.47) KDRALDH1A1LMNAHTTNPSR1
SCHEMBL7914925 0.75 NPSR1 (0.78) ALDH1A1LMNAHTTNPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
CN-101405282-B Aurora kinase modulators and methods of use AMGEN INC 2015-03-25 CN disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
EP-2418209-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 EP disclosed
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2011-10-27 US disclosed
US-8022221-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-09-20 US disclosed
US-7560551-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
CN-101405282-A Aurora kinase modulators and methods of use AMGEN INC (US) 2009-04-08 CN disclosed
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 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 (4 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-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB KDR 1017/4885ALDH1A1 2864/4885LMNA 620/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 KDR 682/4885ALDH1A1 1645/4885LMNA 637/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB KDR 1017/4885ALDH1A1 2864/4885LMNA 620/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB KDR 1017/4885ALDH1A1 2864/4885LMNA 620/4885

“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.