SCHEMBL3073596

SCHEMBL3073596

NNc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nc3occn23)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 3/20 0.38
PRKD3 O94806 2/20 0.37
MAP4K4 O95819 2/20 0.37
CSNK1D P48730 2/20 0.37
FGFR1 P11362 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK1G2 P78368 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
AURKB Q96GD4 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
NR1I2 O75469 1/20 0.35
DPP4 P27487 2/20 0.34
BRAF P15056 2/20 0.34
CNR1 P21554 6/20 0.33
OPRL1 P41146 2/20 0.33
EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL3095969 0.91 PRKD3 (0.47) NR1I3PRKD3MAP4K4CSNK1DFGFR1
SCHEMBL3086376 0.91 PRKD3 (0.44) NR1I3PRKD3MAP4K4CSNK1DFGFR1
SCHEMBL3079084 0.82 PRKD3 (0.55) PRKD3MAP4K4CSNK1DFGFR1MAPK9
SCHEMBL3092921 0.81 PRKD3 (0.44) PRKD3MAP4K4CSNK1DFGFR1MAPK9
SCHEMBL3092438 0.79 PRKD3 (0.43) PRKD3MAP4K4CSNK1DFGFR1MAPK9
SCHEMBL3083884 0.78 PRKD3 (0.48) PRKD3MAP4K4CSNK1DFGFR1MAPK9
SCHEMBL3085618 0.74 NR1I2 (0.37) NR1I3PRKD3MAP4K4CSNK1DMAPK9
SCHEMBL4298583 0.69 MAP4K4 (0.54) PRKD3MAP4K4CSNK1DFGFR1MAPK9
SCHEMBL13144044 0.68 MAP4K4 (0.59) PRKD3MAP4K4CSNK1DFGFR1MAPK9
SCHEMBL4301905 0.66 PRKD3 (0.49) PRKD3MAP4K4CSNK1DFGFR1MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790741-B2 Imidazothiazoles and imidazoxazoles ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 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-20080161341-A1 Novel imidazothiazoles and imidazoxazoles MAP3K1, MAP3K19, MAP3K5 NR1I3 515/4885PRKD3 376/4885MAP4K4 26/4885

“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.