SCHEMBL17868211

SCHEMBL17868211

O=C(COc1ccccc1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.65
BRD4 O60885 1/20 0.64
CREBBP Q92793 1/20 0.64
DPP4 P27487 1/20 0.57
DPP8 Q6V1X1 1/20 0.57
DPP9 Q86TI2 1/20 0.57
DPP7 Q9UHL4 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
P2RX7 Q99572 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
KCNK3 O14649 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
SCHEMBL17877235 0.96 BRD4 (0.67) MAPK1BRD4CREBBPDPP4DPP8
SCHEMBL17868180 0.93 BRD4 (0.73) MAPK1BRD4CREBBPDPP4DPP8
SCHEMBL17877239 0.91 BRD4 (0.71) MAPK1BRD4CREBBPDPP4DPP8
SCHEMBL17877261 0.89 CREBBP (0.63) MAPK1BRD4CREBBPDPP4DPP8
SCHEMBL17868186 0.89 CREBBP (0.60) MAPK1BRD4CREBBPDPP4DPP8
SCHEMBL17877223 0.86 BRD4 (0.67) MAPK1BRD4CREBBPDPP4DPP8
SCHEMBL17877230 0.86 BRD4 (0.67) MAPK1BRD4CREBBPDPP4DPP8
SCHEMBL17868258 0.86 CREBBP (0.55) MAPK1BRD4CREBBPDPP4DPP8
SCHEMBL17877262 0.86 BRD4 (0.70) MAPK1BRD4CREBBPL3MBTL1ALDH1A1
SCHEMBL17877214 0.86 CREBBP (0.67) MAPK1BRD4CREBBPDPP4DPP8

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 14 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
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 MAPK1 3724/4885BRD4 1214/4885CREBBP 134/4885
US-10077264-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS MAPK1 3724/4885BRD4 1214/4885CREBBP 134/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS MAPK1 3724/4885BRD4 1214/4885CREBBP 134/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS MAPK1 3724/4885BRD4 1214/4885CREBBP 134/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS MAPK1 3724/4885BRD4 1214/4885CREBBP 134/4885

“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.