SCHEMBL581995

SCHEMBL581995

Clc1cc2c(-c3ccccc3)nncc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.40
LMNA P02545 5/20 0.40
MAPT P10636 4/20 0.40
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL28152930 0.66 LMNA (0.41) SMN1; SMN2LMNAMAPTGABRA1GABRG2
SCHEMBL29816494 0.66 KDM4E (0.48) SMN1; SMN2LMNAMAPTGABRA1GABRG2
SCHEMBL1268508 0.66 KDM4E (0.48) SMN1; SMN2LMNAMAPTGABRA1GABRG2
SCHEMBL28460237 0.66 GABRA1 (0.40) SMN1; SMN2LMNAMAPTGABRA1GABRG2
SCHEMBL28143836 0.66 CYP2A6 (0.42) SMN1; SMN2GABRA1GABRG2GABRB3GABRA5
SCHEMBL28657632 0.65 KDM4E (0.47) SMN1; SMN2LMNAMAPTGABRA1GABRG2
SCHEMBL10963157 0.65 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPTGABRA1GABRG2
SCHEMBL1313660 0.65 NR4A2 (0.42) NPC1RAB9AKDM4ECASP3SENP7
SCHEMBL14493628 0.65 GABRA1 (0.43) LMNAGABRA1GABRG2GABRB3GABRA5
SCHEMBL27592443 0.63 GABRA1 (0.41) SMN1; SMN2LMNAMAPTGABRA1GABRG2

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-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
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US 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 SMN1; SMN2 3923/4885LMNA 620/4885MAPT 2283/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 SMN1; SMN2 3987/4885LMNA 637/4885MAPT 1958/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB SMN1; SMN2 3923/4885LMNA 620/4885MAPT 2283/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB SMN1; SMN2 3923/4885LMNA 620/4885MAPT 2283/4885

“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.