SCHEMBL20042148

SCHEMBL20042148

CN(C)c1cc(Nc2ccc(F)cc2)nc(N2CCNCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 1/20 0.51
▸ ROCK2 O75116 6/20 0.47
▸ CCNE1 P24864 3/20 0.44
▸ CDK2 P24941 3/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ ROCK1 Q13464 2/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ GALR2 O43603 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL18162511 0.89 LMNA (0.53) BPTFROCK2CCNE1CDK2ROCK1
SCHEMBL18162433 0.86 MEN1 (0.47) CCNE1CDK2HTR2AHTR2CKMT2A
SCHEMBL18153340 0.84 ROCK2 (0.65) BPTFROCK2CCNE1CDK2ROCK1
SCHEMBL23221453 0.81 BPTF (0.54) BPTFROCK2CCNE1CDK2HTR2A
SCHEMBL3242747 0.81 GALR2 (0.60) ROCK2HTR2AROCK1HTR2CKMT2A
SCHEMBL18063492 0.81 BPTF (0.51) BPTFROCK2CCNE1CDK2HTR2A
SCHEMBL18162562 0.80 PKM (0.58) CCNE1CDK2KMT2AMEN1MAPT
SCHEMBL20042176 0.80 ROCK2 (0.67) BPTFROCK2CCNE1CDK2ROCK1
SCHEMBL18153408 0.80 BPTF (0.52) BPTFROCK2CCNE1CDK2HTR2A
SCHEMBL6784463 0.79 HTR2C (0.56) HTR2AHTR2CKMT2AMEN1BLM

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 2 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-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 — — 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 (1 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 BPTF 2828/4885ROCK2 2833/4885CCNE1 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.

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