SCHEMBL2642316

SCHEMBL2642316

[CH2]c1ccc(C(=O)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
DBH P09172 1/20 0.52
GAA P10253 1/20 0.52
RECQL P46063 1/20 0.52
ELANE P08246 1/20 0.36
FFAR1 O14842 1/20 0.35
GSK3B P49841 1/20 0.35
ADRA2B P18089 2/20 0.34
PGR P06401 1/20 0.34
ADRA2A P08913 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL10121174 0.87 KDM4E (0.62) KDM4EDBHGAARECQLELANE
SCHEMBL27509219 0.82 KMT2A (0.36) KDM4EDBHGAARECQLGSK3B
SCHEMBL12418688 0.80 KDM4E (0.56) KDM4EDBHGAARECQLLMNA
SCHEMBL10941943 0.80 KDM4E (0.56) KDM4EDBHGAARECQLELANE
SCHEMBL1702619 0.79 KDM4E (0.50) KDM4EDBHGAARECQLELANE
SCHEMBL1878288 0.78 TSHR (0.60) KDM4EDBHGAARECQLSMN1; SMN2
SCHEMBL4378592 0.78 KDM4E (0.59) KDM4EDBHGAARECQLLMNA
SCHEMBL9340081 0.78 GAA (0.54) KDM4EDBHGAARECQLLMNA
SCHEMBL585256 0.78 ALDH1A1 (0.56) KDM4EDBHGAARECQLGSK3B
SCHEMBL24932160 0.76 KDM4E (0.52) KDM4EDBHGAARECQLELANE

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
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP 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 (3 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 KDM4E 1304/4885DBH 3126/4885GAA 481/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 KDM4E 1297/4885DBH 3185/4885GAA 482/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 KDM4E 1304/4885DBH 3126/4885GAA 481/4885

“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.