Sugi Predict

Sugi Predict / Compounds / SCHEMBL4399209

SCHEMBL4399209

SCHEMBL4399209

C=C(CN1CCNCC1)CN(CCOc1ccccc1C#N)C(=O)Nc1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ MRE11 P49959 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL4398149 0.96 EPHX2 (0.38) EPHX2HTR2CCYP2C19CHRM3MRE11
SCHEMBL13672943 0.88 EPHX2 (0.38) EPHX2CYP2C19MRE11MEN1KMT2A
SCHEMBL14472840 0.84 EPHX2 (0.40) EPHX2CYP2C19MRE11MEN1KMT2A
SCHEMBL4394724 0.84 HTR2C (0.38) EPHX2HTR2CCHRM3MEN1KMT2A
SCHEMBL6699521 0.84 CHRM3 (0.38) EPHX2HTR2CCHRM3MRE11MEN1
SCHEMBL4399190 0.83 CASR (0.41) EPHX2CHRM3ALDH1A1MAPT
SCHEMBL4399460 0.83 KCNA5 (0.43) HTR2CCYP2C19KMT2AALDH1A1KDM4E
SCHEMBL4394368 0.82 CASR (0.50) CHRM3MEN1KMT2AALDH1A1MAPT
SCHEMBL4391651 0.80 EPHX2 (0.38) EPHX2HTR2CCHRM3MEN1KMT2A
SCHEMBL6989235 0.79 CASR (0.45) EPHX2HTR2CMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605261-B2 Urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AMGEN INC. (US) 2009-10-20 — — US disclosed
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2007-07-26 — — US disclosed
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2007-07-26 — — US disclosed
US-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use PROSKELIA SAS (FR) 2004-03-18 — — 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 (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-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use HRH4, HRH2, RPS2 EPHX2 881/4885HTR2C 968/4885CYP2C19 637/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 EPHX2 2170/4885HTR2C 1573/4885CYP2C19 299/4885

“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.