SCHEMBL4856923

SCHEMBL4856923

Cc1cc(C)cc(NCc2ccc3nc(NC4CCNC(CCN5CCOCC5)C4)n(Cc4nc(C)ccc4O)c3c2)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
LMNA P02545 1/20 0.33
EGFR P00533 3/20 0.33
KCNH2 Q12809 5/20 0.33
NR4A2 P43354 2/20 0.33
DHFR P00374 1/20 0.33
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
SSTR5 P35346 1/20 0.31

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
SCHEMBL8284394 0.88 KCNH2 (0.42) ALDH1A1MEN1KMT2ATRPC5LMNA
SCHEMBL4856917 0.87 SSTR5 (0.41) SOS1MEN1KMT2ATRPC5LMNA
SCHEMBL4858155 0.83 HDAC1 (0.35) SOS1TRPC5KCNH2NR4A2DHFR
SCHEMBL4858151 0.83 HDAC1 (0.35) SOS1TRPC5KCNH2NR4A2DHFR
SCHEMBL4864355 0.82 TRPC5 (0.44) ALDH1A1MEN1KMT2ATRPC5LMNA
SCHEMBL1238593 0.81 KCNH2 (0.43) MEN1KMT2ALMNAEGFRKCNH2
SCHEMBL14002729 0.81 TRPC5 (0.42) ALDH1A1MEN1KMT2ATRPC5LMNA
SCHEMBL8294761 0.80 KCNH2 (0.42) MEN1KMT2ALMNAEGFRKCNH2
SCHEMBL1237484 0.79 KCNH2 (0.41) MEN1KMT2ALMNAEGFRKCNH2
SCHEMBL8293191 0.78 KCNH2 (0.40) ALDH1A1MEN1KMT2ALMNAEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883837-B2 Morpholinyl containing benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA NV (BE) 2014-11-11 US disclosed
US-20080280881-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION JANSSEN SCIENCES IRELAND UC (IE) 2008-11-13 US disclosed
US-7449463-B2 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-11-11 US disclosed
EP-1697345-B1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2008-03-12 EP disclosed
US-20070043022-A1 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent JANSSEN SCIENCES IRELAND UC (IE) 2007-02-22 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-20080280881-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION RIN1, ZC3HAV1L, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SOS1 1526/4885ALDH1A1 3486/4885MEN1 2761/4885
US-20070043022-A1 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3 SOS1 2969/4885ALDH1A1 3915/4885MEN1 2563/4885

“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.