SCHEMBL2210096

SCHEMBL2210096

Clc1nnc(N2CCCCCC2)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
GFER P55789 2/20 1.00
HPGD P15428 2/20 0.78
SMN1; SMN2 Q16637 2/20 0.66
NPSR1 Q6W5P4 5/20 0.55
HTT P42858 3/20 0.55
MAPK1 P28482 3/20 0.54
KDM4E B2RXH2 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
ATM Q13315 2/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
PKM P14618 2/20 0.50
TSHR P16473 3/20 0.49
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.47

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
SCHEMBL22440000 0.83 MEN1 (0.71) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL31572201 0.83 MEN1 (0.71) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL12786172 0.82 KMT2A (0.70) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL1396118 0.82 KMT2A (0.70) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL7487101 0.82 MEN1 (0.70) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL20315169 0.80 MEN1 (0.67) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL9310951 0.80 KMT2A (0.66) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL13181182 0.80 KMT2A (0.66) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL12786178 0.78 KMT2A (0.64) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL580682 0.78 MEN1 (0.63) MEN1KMT2AGFERHPGDSMN1; SMN2

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 MEN1 937/4885KMT2A 868/4885GFER 4449/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 MEN1 937/4885KMT2A 868/4885GFER 4449/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 MEN1 937/4885KMT2A 868/4885GFER 4449/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 MEN1 937/4885KMT2A 868/4885GFER 4449/4885

“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.