SCHEMBL3323356

SCHEMBL3323356

CC(C)NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
ERN1 O75460 2/20 0.42
MAOB P27338 1/20 0.42
P4HB P07237 1/20 0.41
LIPG Q9Y5X9 2/20 0.41
LPL P06858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ROCK2 O75116 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP3A5 P20815 1/20 0.40
HPGD P15428 1/20 0.39
PDK2 Q15119 1/20 0.39
ROCK1 Q13464 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PRKD1 Q15139 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL1284689 0.84 HDAC8 (0.50) P4HBLIPGLPLROCK1
SCHEMBL1556858 0.83 P4HB (0.41) P4HBLIPGLPLROCK1
SCHEMBL7894455 0.83 ALDH1A1 (0.49) P4HBLIPGLPLALDH1A1ROCK1
SCHEMBL16554751 0.83 GAA (0.62) NPSR1LIPGLPLHPGDKDM4E
SCHEMBL15739649 0.82 CA1 (0.53) P4HBLIPGLPLALDH1A1CYP1A2
SCHEMBL13363822 0.82 NPSR1 (0.43) NPSR1ERN1MAOBALDH1A1ROCK2
SCHEMBL29535925 0.81 LOXL2 (0.45) P4HBLIPGLPLALDH1A1
SCHEMBL1902494 0.81 LOXL2 (0.45) P4HBLIPGLPLALDH1A1
SCHEMBL19991559 0.81 P4HB (0.44) P4HBLIPGLPLROCK1KDM4E
SCHEMBL18241152 0.81 CA12 (0.41) LIPGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
WO-2008078091-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 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-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 NPSR1 3428/4885ERN1 3412/4885MAOB 3350/4885

“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.