SCHEMBL2969097

SCHEMBL2969097

CCCc1ccc2c(Nc3cc(C)ccc3Sc3cccc(NC(=O)C(N)=O)c3)ccnc2n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.37
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
PIK3CA P42336 1/20 0.32
PANK1 Q8TE04 1/20 0.32
PANK2 Q9BZ23 1/20 0.32
PANK3 Q9H999 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
SREBF2 Q12772 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
EGFR P00533 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
DNMT1 P26358 1/20 0.31
GRM4 Q14833 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
SCHEMBL2955721 0.92 KDR (0.39) KDRNPC1RAB9AKDM4EMAPT
SCHEMBL2969099 0.91 KDR (0.38) KDRKDM4EMAPTPANK1PANK2
SCHEMBL2957726 0.90 KDR (0.38) KDRNPC1RAB9AKDM4EPANK1
SCHEMBL2960103 0.87 KDM4E (0.33) KDM4E
SCHEMBL2969808 0.85 MEN1 (0.37) KDRNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2957625 0.85 SMN1; SMN2 (0.36) KDRNPC1RAB9AMAPTPANK1
SCHEMBL2965230 0.84 SREBF2 (0.37) KDM4EMAPTSMN1; SMN2SREBF2ABCG2
SCHEMBL2960105 0.84 HTR1A (0.32) MAPTSREBF2L3MBTL1
SCHEMBL2961874 0.83 SCN9A (0.34) KDRNPC1RAB9AKDM4EMAPT
SCHEMBL2961431 0.83 PIM1 (0.36) KDM4EMAPTSREBF2L3MBTL1TP53

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-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
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KDR 3293/4885NPC1 37/4885RAB9A 571/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KDR 3293/4885NPC1 37/4885RAB9A 571/4885

“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.