SCHEMBL212070

SCHEMBL212070

O=C(O)c1cc2ccncc2c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
HTT P42858 2/20 0.42
HIPK2 Q9H2X6 2/20 0.41
CSNK2A2 P19784 8/20 0.40
CSNK2B P67870 8/20 0.40
NAPRT Q6XQN6 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
GPR35 Q9HC97 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
CSNK2A1 P68400 1/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37
IGFBP3 P17936 2/20 0.36
MEN1 O00255 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL27932254 0.87 CSNK2A2 (0.40) KDM4EHIPK2CSNK2A2CSNK2BNAPRT
SCHEMBL15610422 0.79 KDM4E (0.51) KDM4EHTTHIPK2CSNK2A2CSNK2B
SCHEMBL212240 0.78 CYP1A2 (0.45) KDM4EPOLBMEN1ALDH1A1KMT2A
SCHEMBL31373449 0.78 CYP1A2 (0.45) KDM4EPOLBMEN1ALDH1A1KMT2A
SCHEMBL1990776 0.77 KDM4E (0.50) KDM4EGPR35ALOX15TSHRHIF1A
SCHEMBL30023908 0.77 KDM4E (0.50) KDM4EGPR35ALOX15TSHRHIF1A
SCHEMBL5101784 0.77 GPR35 (0.49) KDM4EHIPK2CSNK2A2CSNK2BNAPRT
SCHEMBL11294778 0.74 KDM4E (0.43) KDM4EHTTHIPK2POLBRAD52
SCHEMBL29107344 0.73 HIPK2 (0.41) KDM4EHTTHIPK2CSNK2A2CSNK2B
SCHEMBL2987139 0.72 MAOA (0.42) KDM4EHTTHIPK2POLBRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
CN-1882568-B Pyrrol derivatives with antibacterial activity ASTRAZENECA AB 2012-03-28 CN disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 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 (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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 KDM4E 3281/4885HTT 1845/4885HIPK2 898/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KDM4E 3281/4885HTT 1845/4885HIPK2 898/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KDM4E 3281/4885HTT 1845/4885HIPK2 898/4885

“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.