SCHEMBL14740838

SCHEMBL14740838

CC(C)(C)OC(=O)Nc1ccc(Br)cc1NC(=O)CC(=O)c1cnncc1O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.38
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
POLB P06746 1/20 0.34
EGFR P00533 1/20 0.33
RAF1 P04049 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
AURKB Q96GD4 1/20 0.33
IDO1 P14902 1/20 0.33
BACE1 P56817 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
STING1 Q86WV6 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
SCHEMBL14740849 0.84 AAK1 (0.39) AAK1KCNQ4KCNQ5STING1
SCHEMBL16407454 0.84 AAK1 (0.37) AAK1KCNQ4KCNQ5POLB
SCHEMBL16407453 0.81 AAK1 (0.39) AAK1KCNQ4KCNQ5EGFRRAF1
SCHEMBL1519234 0.79 AAK1 (0.49) AAK1KCNQ4KCNQ5
SCHEMBL30175900 0.79 AAK1 (0.49) AAK1KCNQ4KCNQ5
SCHEMBL16407456 0.79 AAK1 (0.39) AAK1KCNQ4KCNQ5POLB
SCHEMBL14740751 0.78 MEN1 (0.47) AAK1
SCHEMBL19196276 0.78 GRM4 (0.45) AAK1EGFR
SCHEMBL16407455 0.78 AAK1 (0.39) AAK1KCNQ4KCNQ5POLBBACE1
SCHEMBL29446491 0.76 ATR (0.39) AAK1KCNQ4KCNQ5EGFRRAF1

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-2751095-B1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD BURNHAM MED RES INST (US) 2021-10-27 EP disclosed
US-9193710-B2 Benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-11-24 US disclosed
US-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-22 US disclosed
EP-2751095-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF Sanford-Burnham Medical Research Institute (US) 2014-07-09 EP disclosed
WO-2013033246-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF BRAINCELLS, INC. (US) 2013-03-07 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-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF GRM1, GRM3, GRM2 AAK1 1426/4885KCNQ4 287/4885KCNQ5 207/4885

“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.