SCHEMBL18153336

SCHEMBL18153336

CN(C)c1cc(Nc2ccc(F)cc2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 1/20 0.49
GALR1 P47211 1/20 0.49
ACHE P22303 2/20 0.45
CCNE1 P24864 6/20 0.44
CDK2 P24941 6/20 0.44
JAK2 O60674 3/20 0.42
JAK3 P52333 2/20 0.42
PTK2 Q05397 1/20 0.42
JAK1 P23458 1/20 0.42
PTPN11 Q06124 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
S1PR2 O95136 1/20 0.41
TLR9 Q9NR96 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
LMNA P02545 1/20 0.40
GRIA1 P42261 1/20 0.40

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
SCHEMBL18162512 0.91 ACHE (0.46) GALR2GALR1ACHECCNE1CDK2
SCHEMBL18153288 0.87 CCNE1 (0.58) GALR2GALR1ACHECCNE1CDK2
SCHEMBL18153275 0.86 GALR2 (0.48) GALR2GALR1ACHECCNE1CDK2
SCHEMBL18162601 0.86 GALR2 (0.48) GALR2GALR1ACHECCNE1CDK2
SCHEMBL18162560 0.85 MAPT (0.49) GALR2GALR1ACHECCNE1CDK2
SCHEMBL18063518 0.85 GALR2 (0.47) GALR2GALR1ACHECCNE1CDK2
SCHEMBL20042175 0.84 CCNE1 (0.55) GALR2GALR1ACHECCNE1CDK2
SCHEMBL18162493 0.83 GALR2 (0.49) GALR2GALR1ACHECCNE1CDK2
SCHEMBL18162508 0.82 GALR2 (0.53) GALR2GALR1ACHECCNE1CDK2
SCHEMBL18153377 0.82 S1PR2 (0.46) ACHES1PR2TLR9GPR119LMNA

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 7 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
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
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 GALR2 3809/4885GALR1 3419/4885ACHE 3524/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS GALR2 3809/4885GALR1 3419/4885ACHE 3524/4885

“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.