SCHEMBL2968573

SCHEMBL2968573

CCCc1ccc2c(Nc3cc(C)cc(Sc4cccc(NC(C)=O)c4)c3)ccnc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
ABCG2 Q9UNQ0 4/20 0.39
SREBF2 Q12772 1/20 0.39
HSD17B10 Q99714 1/20 0.37
KDR P35968 2/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3CA P42336 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL2964082 0.91 SREBF2 (0.44) SYKSREBF2HSD17B10MAPTKDM4E
SCHEMBL2955721 0.86 KDR (0.39) SYKABCG2SREBF2HSD17B10KDR
SCHEMBL2963005 0.82 SREBF2 (0.36) SYKSREBF2KDRMAPTALDH1A1
SCHEMBL2957726 0.81 KDR (0.38) SREBF2KDRKDM4EMEN1NPC1
SCHEMBL2969099 0.79 KDR (0.38) KDRMAPTKDM4EMEN1ALDH1A1
SCHEMBL2969097 0.78 KDR (0.37) ABCG2SREBF2KDRMAPTKDM4E
SCHEMBL2961153 0.76 SREBF2 (0.44) SREBF2MAPTKDM4EMEN1NPC1
SCHEMBL2968577 0.75 KDR (0.41) SYKABCG2HSD17B10KDRMAPT
SCHEMBL2957625 0.75 SMN1; SMN2 (0.36) KDRMAPTMEN1NPC1RAB9A
SCHEMBL2969808 0.75 MEN1 (0.37) KDRKDM4EMEN1NPC1ALDH1A1

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
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 SYK 4335/4885ABCG2 956/4885SREBF2 876/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SYK 4335/4885ABCG2 956/4885SREBF2 876/4885

“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.