SCHEMBL3689823

SCHEMBL3689823

COc1ccc2ncnc(OCC3CCC(NCc4cnc5ccccc5n4)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.44
EGFR P00533 3/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
MTNR1B P49286 2/20 0.38
MTNR1A P48039 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CSF1R P07333 1/20 0.37
KIT P10721 1/20 0.37

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
SCHEMBL3119598 0.85 EGFR (0.54) KCNH2EGFRIRAK4MTNR1BMTNR1A
SCHEMBL3693277 0.81 KCNH2 (0.67) KCNH2
SCHEMBL5651753 0.79 MTNR1B (0.38) EGFRIRAK4MTNR1BMTNR1AALDH1A1
SCHEMBL3128063 0.78 EGFR (0.41) KCNH2EGFRIRAK4MTNR1BMTNR1A
SCHEMBL5651621 0.78 EGFR (0.41) KCNH2EGFRIRAK4MTNR1BMTNR1A
SCHEMBL3697253 0.77 MTNR1A (0.45) KCNH2EGFRIRAK4MTNR1BMTNR1A
SCHEMBL3126601 0.76 KCNH2 (0.67) KCNH2CLK4
SCHEMBL6218075 0.75 EGFR (0.40) EGFRIRAK4MTNR1BMTNR1AALDH1A1
SCHEMBL3117210 0.75 MTNR1B (0.46) EGFRIRAK4MTNR1BMTNR1ACSF1R
SCHEMBL3118071 0.75 MTNR1B (0.48) EGFRIRAK4MTNR1BMTNR1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 US disclosed
EP-1551829-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2005-07-13 EP disclosed
WO-2004035569-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2004-04-29 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 (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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 KCNH2 2411/4885EGFR 4194/4885IRAK4 2532/4885

“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.