SCHEMBL17877286

SCHEMBL17877286

O=C(Nc1cccc(C2CC2)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.55
CREBBP Q92793 2/20 0.55
PIP5K1C O60331 1/20 0.49
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.46
EP300 Q09472 1/20 0.45
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL17868232 0.88 BRD4 (0.66) BRD4CREBBPPIP5K1CNPC1MAPK1
SCHEMBL17877212 0.86 NPC1 (0.57) BRD4CREBBPNPC1MAPK1EP300
SCHEMBL17868238 0.86 BRD4 (0.57) BRD4CREBBPPIP5K1CMAPK1EP300
SCHEMBL17881181 0.81 BRD4 (0.58) BRD4CREBBPMAPK1EP300
SCHEMBL17877381 0.81 BRD4 (0.60) BRD4CREBBPMAPK1TRPV1
SCHEMBL17877279 0.80 BRD4 (0.54) BRD4CREBBPPIP5K1CNPC1MAPK1
SCHEMBL17877248 0.80 BRD4 (0.54) BRD4CREBBPMAPK1TRPV1
SCHEMBL17877280 0.79 GPR142 (0.53) BRD4CREBBPNPC1MAPK1
SCHEMBL17877285 0.79 BRD4 (0.52) BRD4CREBBPPIP5K1CMAPK1
SCHEMBL17868151 0.78 NPC1 (0.52) BRD4CREBBPNPC1MAPK1EP300

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 134/4885PIP5K1C 3986/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885PIP5K1C 3986/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885PIP5K1C 3986/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885PIP5K1C 3986/4885

“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.