SCHEMBL18153334

SCHEMBL18153334

Cc1cc(Nc2ccc(C#N)cc2)nc(Cl)n1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 15/20 0.63
SLC2A1 P11166 2/20 0.52
ABCB1 P08183 9/20 0.51
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
ABCC1 P33527 3/20 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
SCHEMBL18153298 0.84 ABCG2 (0.54) ABCG2ABCB1ABCC1
SCHEMBL23221555 0.84 ABCG2 (0.66) ABCG2SLC2A1ABCB1NPC1CYP1A2
SCHEMBL4012756 0.82 RAB9A (0.71) ABCG2ABCB1NPC1CYP1A2CYP3A4
SCHEMBL4212835 0.82 NPC1 (0.58) ABCG2SLC2A1NPC1CYP1A2CYP3A4
SCHEMBL7356335 0.82 CYP1A2 (0.66) ABCG2SLC2A1ABCB1NPC1CYP1A2
SCHEMBL4594788 0.81 ABCG2 (0.43) ABCG2SLC2A1
SCHEMBL18153382 0.80 POLB (0.57) ABCG2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL23859941 0.80 RAB9A (0.62) ABCG2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL18153342 0.78 ABCG2 (0.51) ABCG2ABCB1ABCC1
SCHEMBL31484144 0.76 NPSR1 (0.47) ABCG2SLC2A1ABCB1NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 EP disclosed
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 EP disclosed
US-10273228-B2 Hepatitis B viral assembly effectors INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-04-30 US disclosed
US-10273228-B2 Hepatitis B viral assembly effectors INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-04-30 US disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
EP-3283472-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS Indiana University Research&Technology Corporation (US) 2018-02-21 EP disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 WO disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 WO 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 (2 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-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS HAVCR2, MAVS, HCCS ABCG2 4610/4885SLC2A1 4867/4885ABCB1 3136/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS ABCG2 4610/4885SLC2A1 4867/4885ABCB1 3136/4885

“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.