SCHEMBL1720841

SCHEMBL1720841

FC(F)(F)c1ccc(-c2nc(I)c(I)[nH]2)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.42
▸ PI4KB Q9UBF8 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.38
▸ NPBWR1 P48145 2/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ MINK1 Q8N4C8 1/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ TRPV3 Q8NET8 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
SCHEMBL1719774 0.77 MAPK13 (0.49) NPBWR1KCNH2DGAT1
SCHEMBL16121162 0.74 KDM4E (0.55) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL16102119 0.73 NPC1 (0.62) KCNH2HPGDDGAT1
SCHEMBL16121160 0.71 KDM4E (0.45) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL28818932 0.71 PIK3CA (0.41) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL1719292 0.70 NPBWR1 (0.40) NPBWR1KCNH2HPGDDGAT1
SCHEMBL16121405 0.70 CHEK2 (0.47) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL16121404 0.70 NPC1 (0.46) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL1720665 0.70 TRPV1 (0.49) KCNH2
SCHEMBL16121415 0.69 TRPV1 (0.63) NPBWR1DGAT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 — — EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 — — US disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 — — 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 (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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 PIK3CA 4222/4885PI4KB 3118/4885PIK3CD 3923/4885

“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.

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