SCHEMBL2211235

SCHEMBL2211235

Oc1ccc(Nc2nnc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.80
NPSR1 Q6W5P4 2/20 0.73
MAPT P10636 3/20 0.66
LMNA P02545 1/20 0.66
KLK7 P49862 1/20 0.65
KLK14 Q9P0G3 1/20 0.65
HTT P42858 2/20 0.65
POLB P06746 2/20 0.65
ALDH1A1 P00352 1/20 0.65
BRAF P15056 1/20 0.65
ENPP3 O14638 2/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CA9 Q16790 1/20 0.59
KDR P35968 3/20 0.57
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL2208521 0.87 GAA (0.80) GAANPSR1MAPTLMNAKLK7
SCHEMBL581896 0.85 GAA (0.91) GAANPSR1MAPTLMNAKLK7
SCHEMBL7918570 0.85 NPSR1 (1.00) GAANPSR1MAPTLMNAKLK7
Hydrochloric Acid SCHEMBL580605 0.84 GAA (0.88) GAANPSR1MAPTLMNAKLK7
SCHEMBL27970770 0.82 CA9 (0.78) MAPTENPP3CA9
Hydrochloric Acid SCHEMBL1831909 0.82 GAA (0.84) GAANPSR1MAPTLMNAKLK7
SCHEMBL14125542 0.80 KLK7 (0.80) GAANPSR1MAPTLMNAKLK7
SCHEMBL3029240 0.80 GAA (0.80) GAANPSR1MAPTLMNAKLK7
SCHEMBL3024303 0.80 MAPT (1.00) GAANPSR1MAPTLMNAKLK7
SCHEMBL2211831 0.80 MAPT (1.00) GAANPSR1MAPTLMNAKLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US disclosed
US-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 US disclosed
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2010-11-04 US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US disclosed
EP-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 EP disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 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-20140336182-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, CDK1 GAA 1887/4885NPSR1 2810/4885MAPT 1693/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 GAA 1887/4885NPSR1 2810/4885MAPT 1693/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 GAA 1887/4885NPSR1 2810/4885MAPT 1693/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 GAA 1887/4885NPSR1 2810/4885MAPT 1693/4885

“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.