SCHEMBL18153383

SCHEMBL18153383

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

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 9/20 0.68
▸ ROCK1 Q13464 4/20 0.68
▸ CCNE1 P24864 6/20 0.55
▸ CDK2 P24941 6/20 0.55
▸ POLB P06746 1/20 0.54
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL18153340 0.84 ROCK2 (0.65) ROCK2ROCK1CCNE1CDK2POLB
SCHEMBL20042174 0.82 POLB (0.60) ROCK2ROCK1CCNE1CDK2POLB
SCHEMBL30533118 0.81 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20784040 0.81 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20042176 0.81 ROCK2 (0.67) ROCK2ROCK1CCNE1CDK2POLB
SCHEMBL20774521 0.80 ROCK2 (1.00) ROCK2ROCK1LMNAMAPTMAPK1
SCHEMBL18153422 0.80 POLB (0.54) ROCK2ROCK1CCNE1CDK2POLB
SCHEMBL20042168 0.77 ROCK2 (0.68) ROCK2ROCK1CCNE1CDK2POLB
Hydrochloric Acid SCHEMBL18153316 0.76 ROCK2 (0.67) ROCK2ROCK1CCNE1CDK2POLB
SCHEMBL20774512 0.76 ROCK2 (0.74) ROCK2ROCK1CCNE1CDK2POLB

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 ROCK2 2833/4885ROCK1 2890/4885CCNE1 3278/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS ROCK2 2833/4885ROCK1 2890/4885CCNE1 3278/4885

“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.

Send feedback