SCHEMBL17877285

SCHEMBL17877285

N#Cc1cc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
CREBBP Q92793 1/20 0.52
MAPK1 P28482 1/20 0.48
GRM4 Q14833 1/20 0.45
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
RECQL P46063 1/20 0.43
PIP5K1C O60331 1/20 0.43
ROCK2 O75116 1/20 0.42
NAMPT P43490 1/20 0.42
USP7 Q93009 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL17877248 0.87 BRD4 (0.54) BRD4CREBBPMAPK1MEN1CYP1A2
SCHEMBL17868232 0.83 BRD4 (0.66) BRD4CREBBPMAPK1PIP5K1CROCK2
SCHEMBL17877381 0.83 BRD4 (0.60) BRD4CREBBPMAPK1ROCK2NAMPT
SCHEMBL17877294 0.83 CREBBP (0.53) BRD4CREBBPMAPK1PIP5K1CUSP7
SCHEMBL17878055 0.83 EP300 (0.43) BRD4CREBBPMAPK1GRM4DPP4
SCHEMBL17877212 0.82 NPC1 (0.57) BRD4CREBBPMAPK1RECQLMEN1
SCHEMBL17877278 0.82 BRD4 (0.52) BRD4CREBBPMAPK1PIP5K1CROCK2
SCHEMBL17878067 0.81 DPP4 (0.41) CREBBPGRM4DPP4DPP8DPP9
SCHEMBL17877281 0.80 CREBBP (0.55) BRD4CREBBPMAPK1DPP4DPP8
SCHEMBL17868238 0.80 BRD4 (0.57) BRD4CREBBPMAPK1PIP5K1C

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 8 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-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2019-01-31 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-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 (4 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-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.