SCHEMBL17868291

SCHEMBL17868291

CN(Cc1ccccc1)C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.66
CREBBP Q92793 2/20 0.66
MAPK1 P28482 1/20 0.53
HRH3 Q9Y5N1 1/20 0.47
P2RX7 Q99572 2/20 0.46
CNR2 P34972 2/20 0.44
EP300 Q09472 1/20 0.44
NPC1 O15118 1/20 0.44
ROCK2 O75116 1/20 0.43
LMNA P02545 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL17877208 0.87 BRD4 (0.71) BRD4CREBBPMAPK1P2RX7EP300
SCHEMBL17868181 0.84 BRD4 (0.67) BRD4CREBBPMAPK1P2RX7EP300
SCHEMBL17868173 0.81 BRD4 (0.77) BRD4CREBBPMAPK1P2RX7ROCK2
SCHEMBL17877197 0.81 BRD4 (0.63) BRD4CREBBPMAPK1P2RX7EP300
SCHEMBL10818694 0.81 MAPK1 (0.77) BRD4CREBBPMAPK1P2RX7EP300
SCHEMBL17868283 0.79 BRD4 (0.73) BRD4CREBBPMAPK1P2RX7NPC1
SCHEMBL17868157 0.78 BRD4 (0.65) BRD4CREBBPMAPK1P2RX7
SCHEMBL17868267 0.78 BRD4 (0.65) BRD4CREBBPMAPK1P2RX7
SCHEMBL17868294 0.78 BRD4 (0.71) BRD4CREBBPMAPK1P2RX7EP300
SCHEMBL17877210 0.78 CREBBP (0.71) BRD4CREBBPMAPK1P2RX7EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS INC (US) 2020-06-11 US disclosed
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS INC (US) 2020-06-11 US disclosed
US-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2019-01-31 US disclosed
US-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2019-01-31 US disclosed
US-10077264-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-09-18 US disclosed
EP-3240787-A2 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS Novira Therapeutics Inc. (US) 2017-11-08 EP disclosed
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-9550779-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-9550779-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-9550779-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 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 (5 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-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885MAPK1 3724/4885
US-10077264-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885MAPK1 3724/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885MAPK1 3724/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885MAPK1 3724/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885MAPK1 3724/4885

“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.