SCHEMBL19869974

SCHEMBL19869974

COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 1/20 0.55
GLA P06280 1/20 0.52
LMNA P02545 3/20 0.49
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 2/20 0.47
TP53 P04637 1/20 0.47
CNR2 P34972 1/20 0.47
TRPV6 Q9H1D0 1/20 0.47
ROCK2 O75116 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9996828 0.87 NPSR1 (0.61) KMT2AALDH1A1POLBCYP2C19MEN1
SCHEMBL15753507 0.85 ALDH1A1 (0.55) KMT2AALDH1A1POLBCYP2C19MEN1
SCHEMBL19869966 0.85 KMT2A (0.57) KMT2AALDH1A1POLBCYP2C19MEN1
SCHEMBL2365945 0.84 MEN1 (0.56) KMT2AALDH1A1POLBMEN1LMNA
SCHEMBL16156062 0.84 MEN1 (0.63) KMT2APOLBMEN1LMNACNR2
SCHEMBL9996874 0.83 POLB (0.63) KMT2AALDH1A1POLBCYP2C19MEN1
SCHEMBL15020081 0.83 HPGD (0.64) KMT2AALDH1A1POLBCYP2C19MEN1
SCHEMBL30602435 0.83 HPGD (0.60) KMT2AALDH1A1POLBCYP2C19MEN1
SCHEMBL9997000 0.83 HPGD (0.60) KMT2AALDH1A1POLBCYP2C19MEN1
SCHEMBL30726275 0.82 SUV39H2 (0.55) ALDH1A1LMNAMAPTSMN1; SMN2

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 KMT2A 1308/4885ALDH1A1 2654/4885POLB 914/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 KMT2A 1279/4885ALDH1A1 2461/4885POLB 958/4885

“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.