SCHEMBL2960103

SCHEMBL2960103

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ICAM1 P05362 2/20 0.33
SELE P16581 2/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
MAP2K4 P45985 1/20 0.33
PARP1 P09874 1/20 0.33
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
YES1 P07947 1/20 0.32
LYN P07948 1/20 0.32
FGR P09769 1/20 0.32
EPHA1 P21709 1/20 0.32
EPHA2 P29317 1/20 0.32
EPHA3 P29320 1/20 0.32
EPHB2 P29323 1/20 0.32
CSK P41240 1/20 0.32
TXK P42681 1/20 0.32
SYK P43405 1/20 0.32
BLK P51451 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
SCHEMBL2961874 0.91 SCN9A (0.34) KDM4ELMNA
SCHEMBL2964026 0.89 PARP1 (0.36) ICAM1SELERAF1BRAFMAP2K4
SCHEMBL2969097 0.87 KDR (0.37) KDM4E
SCHEMBL2960105 0.87 HTR1A (0.32)
SCHEMBL2965230 0.87 SREBF2 (0.37) KDM4E
SCHEMBL2955721 0.86 KDR (0.39) KDM4ESYKLMNA
SCHEMBL2969099 0.86 KDR (0.38) KDM4E
SCHEMBL2961431 0.86 PIM1 (0.36) KDM4ETSHR
SCHEMBL2957726 0.84 KDR (0.38) KDM4ELMNACYP3A4
SCHEMBL2969808 0.83 MEN1 (0.37) KDM4EBRAFLMNA

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 KDM4E 1822/4885ICAM1 1750/4885SELE 1844/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885ICAM1 1750/4885SELE 1844/4885

“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.