SCHEMBL2950329

SCHEMBL2950329

CN1CCC(Nc2ncc(N)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
CDK1 P06493 4/20 0.46
IKBKB O14920 1/20 0.45
CCNA2 P20248 6/20 0.44
CDK2 P24941 6/20 0.44
CCNA1 P78396 6/20 0.44
CDK4 P11802 3/20 0.44
CCNB1 P14635 3/20 0.44
CCND1 P24385 3/20 0.44
MAPK7 Q13164 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
HRH4 Q9H3N8 2/20 0.43
CCND3 P30281 1/20 0.43
CDK6 Q00534 1/20 0.43
KAT2B Q92831 1/20 0.42
BCL6 P41182 1/20 0.42
ALOX15 P16050 1/20 0.41
BRD4 O60885 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL26830431 0.84 MAPK1 (0.62) HDAC1CDK1IKBKBCCNA2CDK2
SCHEMBL2949550 0.83 MAPK1 (0.48) HDAC1MAPK1
SCHEMBL13162840 0.80 KDM4E (0.60) CDK1IKBKBCCNA2CDK2CCNA1
SCHEMBL15986824 0.80 HRH4 (0.46) HDAC1CDK1IKBKBPOLBHRH4
SCHEMBL24968865 0.79 IDH2 (0.54) HDAC1CDK1IKBKBCCNA2CDK2
SCHEMBL17832701 0.78 HDAC1 (0.55) HDAC1CDK1CCNA2CDK2CCNA1
SCHEMBL2947690 0.76 HDAC1 (0.43) HDAC1CDK1IKBKBCCNA2CDK2
SCHEMBL12367050 0.76 CDK2 (0.56) CDK1IKBKBCCNA2CDK2CCNA1
SCHEMBL11099362 0.75 MAPK8 (0.49) HDAC1MAPK1
SCHEMBL4829461 0.75 HRH4 (0.52) CDK1IKBKBPOLBHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928844-B1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-04-23 EP disclosed
EP-1928844-B1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-04-23 EP disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
EP-1928844-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2008-06-11 EP disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
WO-2007022380-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-02-22 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 (2 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-20070072862-A1 Bis-aryl amide compounds and methods of use LCK, BTK, IRAK1 HDAC1 916/4885CDK1 38/4885IKBKB 138/4885
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE LCK, BTK, IRAK1 HDAC1 916/4885CDK1 38/4885IKBKB 138/4885

“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.