SCHEMBL1477877

SCHEMBL1477877

CCOC(=O)Cc1ccc(F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
RIPK1 Q13546 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NLRP3 Q96P20 1/20 0.41
P2RX7 Q99572 2/20 0.40
TSHR P16473 1/20 0.39
EGFR P00533 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL38652331 1.00 PKM (0.44) PKMRIPK1L3MBTL1KMT2ATDP1
SCHEMBL28980523 0.85 P2RX7 (0.43) PKMP2RX7MAPT
SCHEMBL5009319 0.85 NLRP3 (0.50) PKMRIPK1L3MBTL1KMT2ANLRP3
SCHEMBL30262334 0.84 PKM (0.40) PKML3MBTL1KMT2ATDP1NLRP3
SCHEMBL29281165 0.84 PKM (0.40) PKML3MBTL1KMT2ATDP1NLRP3
SCHEMBL25244752 0.83 PKM (0.42) PKMKMT2ATDP1NLRP3TSHR
SCHEMBL5151531 0.83 PKM (0.42) PKML3MBTL1KMT2ATDP1EGFR
SCHEMBL7860050 0.83 CYP4F2 (0.54) PKMRIPK1NLRP3MAPT
SCHEMBL7253727 0.83 TDP1 (0.41) PKML3MBTL1KMT2ATDP1NLRP3
SCHEMBL6445445 0.82 RIPK1 (0.42) RIPK1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668168-A1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2013-12-04 EP disclosed
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
US-7915266-B2 Promoting microtube polymerization; drug resistant cancer; 5-Azepan-1-yl-7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine WYETH HOLDINGS CORPORATION (US) 2011-03-29 US disclosed
US-20080255157-A1 6-Aryl-7-halo-imidazo[1,2-a]pyrimidines as anticancer agents WYETH HOLDINGS CORPORATION (US) 2008-10-16 US disclosed
EP-1684763-B1 6-ARYL-7-HALO-IMIDAZO[1,2-A]PYRIMIDINES AS ANTICANCER AGENT WYETH CORP (US) 2008-06-18 EP disclosed
US-7285555-B2 6-aryl-7-halo-imidazo[1,2-a]pyrimidines as anticancer agents WYETH HOLDINGS CORPORATION (US) 2007-10-23 US disclosed
EP-1684763-A1 6-ARYL-7-HALO-IMIDAZO[1,2-A]PYRIMIDINES AS ANTICANCER AGENT Wyeth Holdings Corporation (US) 2006-08-02 EP disclosed
WO-2005030218-A1 6-ARYL-7-HALO-IMIDAZO[1,2-A]PYRIMIDINES AS ANTICANCER AGENT WYETH HOLDINGS CORPORATION (US) 2005-04-07 WO disclosed
US-20050065167-A1 6-Aryl-7-halo-imidazo[1,2-a]pyrimidines as anticancer agents WYETH HOLDINGS CORPORATION (US) 2005-03-24 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 (2 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-20080255157-A1 6-Aryl-7-halo-imidazo[1,2-a]pyrimidines as anticancer agents ABCC1, TUBB3, ABCB1 PKM 2958/4885RIPK1 3663/4885L3MBTL1 412/4885
US-20050065167-A1 6-Aryl-7-halo-imidazo[1,2-a]pyrimidines as anticancer agents ABCC1, TUBB3, ABCB1 PKM 2958/4885RIPK1 3663/4885L3MBTL1 412/4885

“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.