SCHEMBL17877277

SCHEMBL17877277

O=C(Nc1cccc(Cl)c1Cl)N1CCc2[nH]nc(-c3ccccc3)c2C1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.59
BRD4 O60885 1/20 0.57
CREBBP Q92793 1/20 0.57
MET P08581 5/20 0.49
MAPK1 P28482 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 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
SCHEMBL17877382 0.93 BRD4 (0.60) P2RX7BRD4CREBBPMETMAPK1
SCHEMBL17877245 0.90 TAS1R3 (0.59) P2RX7BRD4CREBBPMETMAPK1
SCHEMBL17877302 0.85 TRPV1 (0.57) P2RX7BRD4CREBBPMETMAPK1
SCHEMBL17877307 0.83 CREBBP (0.54) P2RX7BRD4CREBBPMAPK1
SCHEMBL17868232 0.83 BRD4 (0.66) P2RX7BRD4CREBBPMETMAPK1
SCHEMBL17877381 0.82 BRD4 (0.60) P2RX7BRD4CREBBPMETMAPK1
SCHEMBL17877281 0.82 CREBBP (0.55) P2RX7BRD4CREBBPMAPK1TAS1R3
SCHEMBL17877212 0.82 NPC1 (0.57) P2RX7BRD4CREBBPMETMAPK1
SCHEMBL17877294 0.81 CREBBP (0.53) P2RX7BRD4CREBBPMAPK1TAS1R3
SCHEMBL17877278 0.80 BRD4 (0.52) P2RX7BRD4CREBBPMAPK1TAS1R3

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 P2RX7 3671/4885BRD4 1214/4885CREBBP 134/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS P2RX7 3671/4885BRD4 1214/4885CREBBP 134/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS P2RX7 3671/4885BRD4 1214/4885CREBBP 134/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS P2RX7 3671/4885BRD4 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.