SCHEMBL3671915

SCHEMBL3671915

Cn1c(O)nc2ncc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
HRH4 Q9H3N8 6/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MET P08581 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTR3A P46098 1/20 0.35
DYRK1A Q13627 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PAK4 O96013 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
MCL1 Q07820 1/20 0.33
AURKA O14965 2/20 0.32
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL3775624 0.80 HRH4 (0.39) HRH4MAPT
SCHEMBL20874722 0.80 HSD17B10 (0.47) HSD17B10HRH4HRH3METSMN1; SMN2
SCHEMBL3670830 0.79 HRH4 (0.40) HRH4
SCHEMBL3668135 0.76 TLR8 (0.37) HSD17B10HRH4HRH3METSMN1; SMN2
SCHEMBL3668131 0.74 MET (0.38) HSD17B10HRH4HRH3METSMN1; SMN2
SCHEMBL3671040 0.73 MCL1 (0.30) MCL1
SCHEMBL27158378 0.68 HSD17B10 (0.37) HSD17B10HRH4HRH3METSMN1; SMN2
SCHEMBL1104630 0.68 MET (0.46) HSD17B10HRH4HRH3METSMN1; SMN2
SCHEMBL31221748 0.68 MET (0.46) HSD17B10HRH4HRH3METSMN1; SMN2
SCHEMBL14828908 0.67 HRH4 (0.38) HRH4HRH3METSMN1; SMN2DYRK1A

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-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
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
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
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 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 (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 HSD17B10 4331/4885HRH4 4875/4885HRH3 4669/4885

“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.