SCHEMBL19869944

SCHEMBL19869944

COc1cc(CN2CC(O)C2)c(OC)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
HTR2A P28223 9/20 0.50
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
TAAR1 Q96RJ0 3/20 0.47
HTR2C P28335 1/20 0.47
MAPK1 P28482 1/20 0.46
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL19869696 0.84 TRPV6 (0.54) KDM4EALDH1A1TSHRPDCD1CD274
SCHEMBL19869942 0.78 BRD4 (0.54) KDM4EALDH1A1TSHRPDCD1CD274
SCHEMBL19869945 0.77 GAA (0.63) KDM4EHTR2ATAAR1HTR2CMAPK1
SCHEMBL29690180 0.76 CYP1A2 (0.55) KDM4EHTR2ATAAR1HTR2CMAPK1
SCHEMBL20545632 0.76 CYP1A2 (0.55) KDM4EHTR2ATAAR1HTR2CMAPK1
SCHEMBL2895893 0.76 ALDH1A1 (0.55) KDM4EALDH1A1TSHRMAPK1
SCHEMBL22660184 0.74 KDM4E (0.53) KDM4EHTR2AALDH1A1TSHRMAPK1
SCHEMBL22660186 0.74 KDM4E (0.53) KDM4EHTR2AALDH1A1TSHRMAPK1
SCHEMBL2919640 0.73 MEN1 (0.56) KDM4EALDH1A1TSHR
SCHEMBL19869763 0.73 BRD9 (0.61) KDM4EALDH1A1TSHRPDCD1CD274

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 KDM4E 1154/4885HTR2A 2363/4885ALDH1A1 2654/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 KDM4E 1262/4885HTR2A 2265/4885ALDH1A1 2461/4885

“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.