SCHEMBL320366

SCHEMBL320366

CC1(C)OB(c2ccnc(-c3cc(Cl)ccc3F)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.43
TGFBR1 P36897 12/20 0.38
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2C8 P10632 1/20 0.36
PDGFRB P09619 2/20 0.35
KDR P35968 2/20 0.35
CYP1A2 P05177 1/20 0.34
BMPR1A P36894 1/20 0.33
ACVR1B P36896 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
MAPK13 O15264 1/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 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
SCHEMBL19933806 0.81 MAP4K4 (0.43) EGFRTGFBR1LPLLIPG
SCHEMBL2660696 0.77 LPL (0.42) EGFRTGFBR1LPLLIPGPDGFRB
SCHEMBL16403173 0.75 LPL (0.59) EGFRTGFBR1LPLLIPG
SCHEMBL320090 0.75 TGFBR1 (0.49) TGFBR1CYP3A4CYP2C8CYP1A2BMPR1A
SCHEMBL21354160 0.74 LPL (0.41) TGFBR1LPLLIPGCYP3A4CYP1A2
SCHEMBL2659676 0.74 EGFR (0.41) EGFRLPLLIPGPDGFRBKDR
SCHEMBL29502754 0.74 LPL (0.41) EGFRLPLLIPG
SCHEMBL394155 0.74 LPL (0.41) EGFRLPLLIPG
SCHEMBL29381650 0.74 LPL (0.47) EGFRLPLLIPGIRAK4
SCHEMBL613614 0.74 LPL (0.47) EGFRLPLLIPGIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051307-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
EP-2590946-B1 Bipyridyl derivatives useful for the treatment of kinase-induced diseases MERCK PATENT GMBH (DE) 2015-02-18 EP disclosed
US-20140336201-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-8846931-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
EP-2590946-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES Merck Patent GmbH (DE) 2013-05-15 EP disclosed
US-20130102608-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
WO-2012003912-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES MERCK PATENT GMBH (DE) 2012-01-12 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 (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-20130102608-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 EGFR 237/4885TGFBR1 1/4885LPL 4807/4885
US-20140336201-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 EGFR 237/4885TGFBR1 1/4885LPL 4807/4885

“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.