SCHEMBL3672677

SCHEMBL3672677

CCCCCn1c(O)nc2nccc(C#N)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.36
CASP7 P55210 7/20 0.36
HSD17B10 Q99714 7/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 6/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 4/20 0.36
GLA P06280 3/20 0.36
SAE1 Q9UBE0 2/20 0.36
UBA2 Q9UBT2 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
ELANE P08246 2/20 0.36
ADORA2A P29274 1/20 0.35
TLR8 Q9NR97 3/20 0.34
PDE4B Q07343 4/20 0.34
ALOX15 P16050 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 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
SCHEMBL3670167 0.78 TLR8 (0.38) ALDH1A1TLR8PDE4B
SCHEMBL3669343 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EGLAMAPTLMNA
SCHEMBL2297790 0.76 PDE4B (0.46) ALDH1A1KDM4EGLAMAPTADORA2A
SCHEMBL3670224 0.76 HSD17B10 (0.36) CASP1CASP7HSD17B10ALDH1A1HPGD
SCHEMBL3675907 0.75 HPGD (0.37) CASP1CASP7HSD17B10ALDH1A1HPGD
SCHEMBL4114788 0.75 CASP1 (0.34) CASP1CASP7HSD17B10ALDH1A1HPGD
SCHEMBL3675331 0.74 GRK6 (0.44) ALDH1A1KDM4ESAE1UBA2TLR8
SCHEMBL3672672 0.74 ELANE (0.32) ELANE
SCHEMBL3669331 0.72 TLR8 (0.48) ALDH1A1HPGDKDM4EGLAMAPT
SCHEMBL2298559 0.72 AR (0.36) HSD17B10ALDH1A1HPGDKDM4EMAPT

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-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP disclosed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 CASP1 3431/4885CASP7 1898/4885HSD17B10 4331/4885

“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.