SCHEMBL1939799

SCHEMBL1939799

CSc1nc(C)c(C#N)c(Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
MEN1 O00255 5/20 0.47
HTT P42858 3/20 0.47
GLA P06280 2/20 0.47
TSHR P16473 1/20 0.47
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA13 Q8N1Q1 3/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM1A O60341 1/20 0.38
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37

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
SCHEMBL2132489 0.88 KMT2A (0.60) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL13431153 0.86 KMT2A (0.46) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL31265674 0.79 ALDH1A1 (0.55) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL14294953 0.79 KMT2A (0.53) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL3278731 0.79 ALDH1A1 (0.55) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL16875050 0.78 KMT2A (0.51) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL13283451 0.77 KMT2A (0.40) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL1939642 0.77 NPSR1 (0.44) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL15806324 0.76 RXFP1 (0.42) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL11826738 0.75 KDM4E (0.48) KMT2ACYP1A2CYP2C9CYP2C19MEN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872507-A1 AZAINDOLE DERIVATIVES WHICH ACT AS PI3K INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2015-05-20 EP disclosed
US-20140343033-A1 AZAINDOLE DERIVATIVES Takeda Califomia, Inc. (US) 2014-11-20 US disclosed
US-8835420-B2 Azaindole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-16 US disclosed
US-20140171429-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-19 US disclosed
US-20140171429-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-19 US disclosed
US-20140171429-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-19 US disclosed
WO-2014011568-A1 AZAINDOLE DERIVATIVES WHICH ACT AS PI3K INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-16 WO disclosed
US-20140018344-A1 AZAINDOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-16 US disclosed
EP-2665725-A1 BICYCLIC INHIBITORS OF ALK AbbVie Inc. (US) 2013-11-27 EP disclosed
EP-2330909-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-09-18 EP disclosed
US-8383635-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-02-26 US disclosed
US-8383635-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-02-26 US disclosed
WO-2012097683-A1 BICYCLIC INHIBITORS OF ALK ABBOTT LABORATORIES (US) 2012-07-26 WO disclosed
WO-2012097683-A1 BICYCLIC INHIBITORS OF ALK ABBOTT LABORATORIES (US) 2012-07-26 WO disclosed
EP-2330909-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-06-15 EP disclosed
US-20110136838-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-06-09 US disclosed
US-20110136838-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-06-09 US disclosed
US-20110136838-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-06-09 US disclosed
WO-2010019637-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
WO-2010019637-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 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 (4 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-20140343033-A1 AZAINDOLE DERIVATIVES PIK3R5, PIK3R1, PIK3R2 KMT2A 2404/4885CYP1A2 600/4885CYP2C9 208/4885
US-20110136838-A1 CHEMICAL COMPOUNDS PDK1, PDK4, PDK3 KMT2A 1745/4885CYP1A2 1670/4885CYP2C9 2450/4885
US-20140171429-A1 BICYCLIC INHIBITORS OF ALK ALK, ACVR1, ACVR1B KMT2A 593/4885CYP1A2 751/4885CYP2C9 1290/4885
US-20140018344-A1 AZAINDOLE DERIVATIVES PIK3R5, PIK3R1, PIK3R2 KMT2A 2404/4885CYP1A2 600/4885CYP2C9 208/4885

“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.