SCHEMBL14488668

SCHEMBL14488668

CC1(C)OB(c2cc(F)c(CO)c(F)c2)OC1(C)C.OCc1c(F)cc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.39
LIPG Q9Y5X9 10/20 0.38
LPL P06858 9/20 0.38
FFAR1 O14842 1/20 0.35
F11 P03951 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL16021403 0.92 LIPG (0.43) ROCK1LIPGLPLFFAR1F11
SCHEMBL16011151 0.90 ROCK1 (0.36) ROCK1LIPGLPLFFAR1F11
SCHEMBL16021406 0.83 ROCK1 (0.40) ROCK1LIPGLPLFFAR1F11
SCHEMBL16011263 0.81 ROCK1 (0.44) ROCK1LIPGLPLFFAR1F11
SCHEMBL14488072 0.79 ROCK1 (0.38) ROCK1LIPGLPLFFAR1F11
SCHEMBL14488670 0.79 LIPG (0.38) ROCK1LIPGLPLFFAR1F11
SCHEMBL19647680 0.78 ROCK1 (0.40) ROCK1LIPGLPLFFAR1F11
SCHEMBL13064191 0.78 ROCK1 (0.40) ROCK1LIPGLPLFFAR1F11
SCHEMBL780202 0.77 ROCK1 (0.39) ROCK1LIPGLPLFFAR1F11
SCHEMBL12215730 0.77 LPL (0.44) ROCK1LIPGLPLFFAR1F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2726482-B1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS BAYER IP GMBH (DE) 2016-07-20 EP disclosed
US-9040691-B2 Hydroxymethylaryl-substituted pyrrolotriazines as ALK1 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-26 US disclosed
US-20140256718-A1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
EP-2726482-A1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS Bayer Intellectual Property GmbH (DE) 2014-05-07 EP disclosed
WO-2013004551-A1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-10 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-20140256718-A1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS ALK, FLT1, ACVR1 ROCK1 35/4885LIPG 172/4885LPL 3561/4885

“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.