SCHEMBL3461210

SCHEMBL3461210

CCN1CCCC(C(=O)NN)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.51
SMN1; SMN2 Q16637 1/20 0.43
KDM2B Q8NHM5 2/20 0.43
HSD11B1 P28845 1/20 0.42
CCR2 P41597 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL8402885 0.87 BCHE (0.59) BCHESMN1; SMN2KDM2B
SCHEMBL26999697 0.85 BCHE (0.52) BCHESMN1; SMN2KDM2BHSD11B1CCR2
SCHEMBL24777711 0.85 BCHE (0.68) BCHESMN1; SMN2KDM2BHSD11B1CCR2
SCHEMBL8820146 0.85 BCHE (0.52) BCHESMN1; SMN2KDM2BHSD11B1CCR2
SCHEMBL441659 0.83 BCHE (0.69) BCHESMN1; SMN2KDM2BHSD11B1CCR2
SCHEMBL21486158 0.82 TSHR (0.57) BCHESMN1; SMN2KDM2BHSD11B1CCR2
SCHEMBL15998502 0.81 BCHE (0.67) BCHESMN1; SMN2KDM2BHSD11B1ALDH1A1
SCHEMBL3936335 0.81 BCHE (0.67) BCHESMN1; SMN2KDM2BHSD11B1ALDH1A1
SCHEMBL740141 0.79 SMN1; SMN2 (0.54) BCHESMN1; SMN2KDM2BHSD11B1ALDH1A1
SCHEMBL1609328 0.79 SMN1; SMN2 (0.54) BCHESMN1; SMN2KDM2BHSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 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 (1 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 BCHE 4237/4885SMN1; SMN2 4557/4885KDM2B 3165/4885

“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.