SCHEMBL2295974

SCHEMBL2295974

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccc(C#N)cn3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM5 P41594 3/20 0.33
P2RX3 P56373 1/20 0.33
MAPT P10636 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
ITK Q08881 1/20 0.31
SLC6A4 P31645 1/20 0.30
UBE2N P61088 1/20 0.30
SCARB1 Q8WTV0 1/20 0.30

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
SCHEMBL2298559 0.89 AR (0.36) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL2298083 0.86 TLR8 (0.37) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL2297637 0.86 FLT3 (0.36) KDM4EALDH1A1L3MBTL1MAPTGLA
SCHEMBL2300511 0.84 TYRO3 (0.35)
SCHEMBL2299657 0.84 USP7 (0.39) ALDH1A1HPGDHSD17B10GLACASP1
SCHEMBL2296228 0.81 CYP19A1 (0.36) KDM4EALDH1A1GAA
SCHEMBL2296013 0.81 AXL (0.35) ALDH1A1MAPT
SCHEMBL4114788 0.81 CASP1 (0.34) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL3675907 0.80 HPGD (0.37) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL2298187 0.79 TLR8 (0.37) KDM4EALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO claimed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US disclosed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US disclosed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 KDM4E 4841/4885ALDH1A1 3443/4885HPGD 2296/4885

“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.