SCHEMBL18153422

SCHEMBL18153422

Cc1cc(Nc2ccc(F)cc2)nc(N2CCNC(C)(C)C2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ CCNE1 P24864 6/20 0.53
▸ CDK2 P24941 6/20 0.53
▸ MAPT P10636 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ ROCK2 O75116 5/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ ROCK1 Q13464 3/20 0.45
▸ CTNNB1 P35222 1/20 0.45
▸ TCF7L2 Q9NQB0 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL18153329 0.87 LMNA (0.48) POLBCCNE1CDK2MAPTLMNA
SCHEMBL18153340 0.84 ROCK2 (0.65) POLBCCNE1CDK2MAPTLMNA
SCHEMBL20042174 0.82 POLB (0.60) POLBCCNE1CDK2MAPTLMNA
SCHEMBL20042176 0.81 ROCK2 (0.67) POLBCCNE1CDK2MAPTLMNA
SCHEMBL18153383 0.80 ROCK2 (0.68) POLBCCNE1CDK2MAPTLMNA
SCHEMBL20042143 0.74 CCNE1 (0.52) POLBCCNE1CDK2MAPTLMNA
SCHEMBL18063516 0.74 LMNA (0.72) POLBCCNE1CDK2MAPTLMNA
SCHEMBL20042168 0.73 ROCK2 (0.68) POLBCCNE1CDK2MAPTLMNA
SCHEMBL18162530 0.72 PKM (0.76) POLBCCNE1CDK2MAPTLMNA
Hydrochloric Acid SCHEMBL18153316 0.72 ROCK2 (0.67) POLBCCNE1CDK2MAPTLMNA

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 POLB 679/4885CCNE1 3278/4885CDK2 2981/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS POLB 679/4885CCNE1 3278/4885CDK2 2981/4885

“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.

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