SCHEMBL2298559

SCHEMBL2298559

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccc(C#N)cc3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
UBE2N P61088 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ICMT O60725 1/20 0.34
KDM1A O60341 2/20 0.33
CYP11B2 P19099 1/20 0.33
ITK Q08881 1/20 0.33

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
SCHEMBL2299657 0.89 USP7 (0.39) ALDH1A1HPGDHSD17B10CYP1A2SMN1; SMN2
SCHEMBL2295974 0.89 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2300694 0.88 TLR8 (0.39) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL2299677 0.88 ESR1 (0.38) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2297571 0.87 TLR8 (0.37) KDM4EMAPT
SCHEMBL2299443 0.86 TLR8 (0.38) KDM4EMAPT
SCHEMBL2298814 0.86 KDM4E (0.42) KDM4EALDH1A1MAPTTSHR
SCHEMBL3399430 0.85 GCGR (0.33) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2298472 0.85 RIPK3 (0.35) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2298485 0.84 PDE4B (0.42) KDM4EALDH1A1HSD17B10MAPTTSHR

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
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 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
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US 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 (2 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 AR 3167/4885KDM4E 4841/4885ALDH1A1 3443/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 AR 2960/4885KDM4E 4848/4885ALDH1A1 3127/4885

“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.