SCHEMBL580845

SCHEMBL580845

O=C(O)NCCc1c(I)ccnc1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.34
NPC1 O15118 4/20 0.34
NAPRT Q6XQN6 1/20 0.33
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM5A P29375 1/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
CNR1 P21554 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL20897938 0.76 KDM4E (0.30) KDM4E
SCHEMBL2897887 0.75
SCHEMBL581364 0.74 CCNB2 (0.35)
SCHEMBL6788430 0.71 RECQL (0.31) NAPRT
SCHEMBL2897857 0.70
SCHEMBL393492 0.69 NAPRT (0.38) RAB9ANPC1NAPRTFFAR1KDM4E
SCHEMBL25199363 0.69 HSD17B10 (0.36) KDM4E
SCHEMBL12496978 0.69 SMN1; SMN2 (0.39) RAB9ANPC1FFAR1ALDH1A1SMN1; SMN2
SCHEMBL15886751 0.69
SCHEMBL5176622 0.68 CNR1 (0.37) RAB9ANPC1ALDH1A1CNR1

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 12 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
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
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 RAB9A 1770/4885NPC1 1051/4885NAPRT 4522/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 RAB9A 2470/4885NPC1 996/4885NAPRT 4113/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB RAB9A 1770/4885NPC1 1051/4885NAPRT 4522/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB RAB9A 1770/4885NPC1 1051/4885NAPRT 4522/4885

“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.