SCHEMBL19869951

SCHEMBL19869951

COc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(OC)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
ADAM17 P78536 1/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
VEGFA P15692 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
LMNA P02545 1/20 0.44
HTR2A P28223 1/20 0.44
SUV39H2 Q9H5I1 1/20 0.44
TSHR P16473 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL23783201 0.90 VEGFA (0.47) PKMMMP1MMP9MMP13ADAM17
SCHEMBL30031969 0.90 VEGFA (0.47) PKMMMP1MMP9MMP13ADAM17
SCHEMBL15094126 0.87 KDM4E (0.53) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL23783427 0.83 MMP1 (0.47) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL24099834 0.81 VEGFA (0.49) PKMKDM4EALDH1A1MEN1KMT2A
SCHEMBL25933491 0.79 PDE4A (0.46) PKMKDM4EALDH1A1POLBLMNA
SCHEMBL15058679 0.79 ALDH1A1 (0.51) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL1713785 0.78 ALDH1A1 (0.52) MAPK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL29121833 0.78 MTNR1A (0.42) PKMMMP1MMP9MMP13ADAM17
SCHEMBL376336 0.78 ALDH1A1 (0.60) MMP1MMP9MMP13ADAM17KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3265453-B1 NEW PYRIDINONES AND ISOQUINOLINONES AS INHIBITORS OF THE BROMODOMAIN BRD9 BOEHRINGER INGELHEIM INT (DE) 2022-06-29 EP disclosed
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 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 (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-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BRD9, BRD1, BRD2 PKM 3121/4885MAPK1 611/4885MMP1 2876/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 PKM 2972/4885MAPK1 672/4885MMP1 2443/4885

“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.