SCHEMBL5762967

SCHEMBL5762967

CCCc1nc(C(F)(F)F)cc(=O)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.48
PKM P14618 1/20 0.48
PDE4A P27815 4/20 0.46
PDE4B Q07343 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
GSK3B P49841 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PPARG P37231 2/20 0.44
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
SDHB P21912 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5766299 0.85 GSK3B (0.49) TLR7PKMPDE4APDE4BPDE4C
SCHEMBL4739125 0.80 GSK3B (0.51) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL5766296 0.78 TLR7 (0.46) TLR7PKMALDH1A1SDHBLMNA
SCHEMBL6017115 0.70 PDE4A (0.56) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL2348949 0.70 PDE4A (0.85) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL9029366 0.68 PDE4A (0.51) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL9414233 0.68 TLR7 (0.51) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL18931772 0.68 GSK3B (0.64) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL9028574 0.68 KMT2A (0.62) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL14671199 0.68 TLR7 (0.74) TLR7HPGDTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509507-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-09-13 EP disclosed
US-20050234080-A1 Mitotic kinesin inhibitors COLEMAN PAUL J 2005-10-20 US disclosed
EP-1509507-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-03-02 EP disclosed
WO-2003099211-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-12-04 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-20050234080-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIFC1 TLR7 4869/4885PKM 667/4885PDE4A 2837/4885

“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.