SCHEMBL3675495

SCHEMBL3675495

CN(C)CCCn1c(O)nc2ncc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.41
WEE1 P30291 3/20 0.37
CHEK1 O14757 2/20 0.37
MPO P05164 3/20 0.36
XDH P47989 3/20 0.36
HTR3A P46098 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CYP2D6 P10635 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL3670195 0.85 KDM4E (0.40) HRH4WEE1CHEK1HTR3AHRH3
SCHEMBL3666329 0.84 TLR8 (0.37) HRH4WEE1CHEK1HTR3AHRH3
SCHEMBL3671987 0.83 NUDT1 (0.45) HRH4WEE1CHEK1HTR3AHRH3
SCHEMBL3668071 0.83 HPGD (0.38) HRH4HTR3AHRH3
SCHEMBL3667095 0.83 PSEN1 (0.39) HRH4
SCHEMBL3669424 0.81 PLAU (0.37) HRH4WEE1CHEK1HTR3AHRH3
SCHEMBL3675941 0.80 KMT2A (0.42) HRH4HTR3AHRH3
SCHEMBL3673651 0.80 APOBEC3G (0.38) HRH4HTR3AHRH3
SCHEMBL3669322 0.79 HSP90B1 (0.37) HRH4HTR3AHRH3
SCHEMBL3672462 0.79 HRH4 (0.36) HRH4HTR3AHRH3

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 10 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
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US 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 HRH4 4875/4885WEE1 3646/4885CHEK1 1328/4885

“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.