SCHEMBL5764538

SCHEMBL5764538

CCC(Br)c1nc(C(F)(F)F)c(Br)c(=O)n1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CFTR P13569 1/20 0.38
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASR P41180 1/20 0.36
KIF11 P52732 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL6017457 0.79 TLR7 (0.43) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL5821050 0.79 KIF11 (0.42) HPGDTSHRHSD17B10KDM4EMAPT
SCHEMBL5766296 0.79 TLR7 (0.46) HPGDTSHRHSD17B10GAAALDH1A1
SCHEMBL6515882 0.77 KIF11 (0.38) MAPTKIF11
SCHEMBL7257039 0.77 PDE4A (0.56) TSHRHSD17B10CFTRPDE4APDE4B
SCHEMBL2351103 0.77 PDE4A (0.56) TSHRHSD17B10CFTRPDE4APDE4B
SCHEMBL5107156 0.75 MAPT (0.51) GAAKDM4EMAPTNPSR1KIF11
SCHEMBL3838642 0.74 KDM4E (0.45) HPGDPDE4APDE4BPDE4CPDE4D
SCHEMBL5821082 0.73 KIF11 (0.55) KIF11
SCHEMBL5764546 0.73 PDE4A (0.46) CFTRPDE4APDE4BPDE4CPDE4D

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 HPGD 3420/4885TSHR 4798/4885HSD17B10 1503/4885

“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.