SCHEMBL2947690

SCHEMBL2947690

CN1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
MAPK7 Q13164 1/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 3/20 0.42
KAT2B Q92831 2/20 0.41
CCNA2 P20248 5/20 0.41
CDK2 P24941 5/20 0.41
CCNA1 P78396 5/20 0.41
CDK1 P06493 3/20 0.40
CDK4 P11802 2/20 0.40
CCNB1 P14635 2/20 0.40
CCND1 P24385 2/20 0.40
IKBKB O14920 1/20 0.40
CCND3 P30281 1/20 0.40
CDK6 Q00534 1/20 0.40
OPRK1 P41145 1/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL29224924 0.86 MAPT (0.46) HDAC1MAPTCDK2POLBMAPK1
SCHEMBL27947891 0.83 MAPT (0.56) HDAC1MAPTCDK2POLBMAPK1
SCHEMBL13528619 0.82 CYP1A2 (0.52) MAPTLMNAGAAMEN1ALDH1A1
SCHEMBL26830431 0.78 MAPK1 (0.62) HDAC1MAPK7KAT2BCCNA2CDK2
SCHEMBL2950329 0.76 HDAC1 (0.47) HDAC1MAPK7KAT2BCCNA2CDK2
SCHEMBL6125260 0.76 POLB (0.69) PKMMAPTPOLBMAPK1LMNA
SCHEMBL29225001 0.75 ALDH1A1 (0.41) MAPTPOLBMAPK1LMNAGAA
SCHEMBL25086292 0.75 PRKCQ (0.50) MAPTPOLBLMNAGAAMEN1
SCHEMBL17832701 0.75 HDAC1 (0.55) HDAC1MAPK7KAT2BCCNA2CDK2
SCHEMBL13162840 0.74 KDM4E (0.60) CCNA2CDK2CCNA1CDK1CDK4

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 7 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
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-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
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 916/4885MAPK7 242/4885PKM 358/4885
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE LCK, BTK, IRAK1 HDAC1 916/4885MAPK7 242/4885PKM 358/4885

“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.