SCHEMBL3669322

SCHEMBL3669322

Oc1nc2ncc(Cl)cc2n1CCCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 3/20 0.37
HTT P42858 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CCR9 P51686 1/20 0.33
HRH4 Q9H3N8 9/20 0.32
CNR2 P34972 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
HTR3A P46098 1/20 0.31
NUDT1 P36639 1/20 0.31
BACE1 P56817 1/20 0.31
CDK9 P50750 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
HPGD P15428 1/20 0.31
GUSB P08236 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
SCHEMBL3671987 0.83 NUDT1 (0.45) HTTHSD17B10HRH4HRH3HTR3A
SCHEMBL3670195 0.82 KDM4E (0.40) HSP90B1HTTHSD17B10HRH4HRH3
SCHEMBL3666329 0.81 TLR8 (0.37) HTTHSD17B10HRH4CNR2HRH3
SCHEMBL3669547 0.81 CTSL (0.36) HTTHSD17B10CCR9HRH4HRH3
SCHEMBL3668071 0.80 HPGD (0.38) HTTHSD17B10HRH4HRH3HTR3A
SCHEMBL3675941 0.80 KMT2A (0.42) HTTHSD17B10HRH4HRH3HTR3A
SCHEMBL3667095 0.80 PSEN1 (0.39) HRH4CNR2
SCHEMBL3675495 0.79 HRH4 (0.41) HRH4HRH3HTR3A
SCHEMBL3669424 0.78 PLAU (0.37) HTTHSD17B10HRH4HRH3HTR3A
SCHEMBL3673651 0.77 APOBEC3G (0.38) HTTHSD17B10HRH4HRH3HTR3A

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
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

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 HSP90B1 622/4885HTT 1382/4885HSD17B10 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.