SCHEMBL2961843

SCHEMBL2961843

CCCc1ccc2c(Nc3cc(C)ccc3Sc3ccccc3NC(C)=O)ccnc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
POLB P06746 1/20 0.37
SREBF2 Q12772 1/20 0.36
PDE7A Q13946 1/20 0.35
TP53 P04637 1/20 0.35
BLM P54132 1/20 0.35
MAPK1 P28482 2/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK14 Q16539 1/20 0.33
MEN1 O00255 1/20 0.33
TOP2A P11388 1/20 0.33
ITGB2 P05107 1/20 0.33

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
SCHEMBL2961153 0.86 SREBF2 (0.44) KDM4ESREBF2TP53BLMMAPK1
SCHEMBL2955721 0.86 KDR (0.39) KDM4ENPSR1POLBSREBF2TP53
SCHEMBL2968599 0.86 SREBF2 (0.40) KDM4ESREBF2MAPK1MAPTKMT2A
SCHEMBL2970441 0.86 SLC6A4 (0.40) KDM4EPOLBSREBF2MAPK1MAPT
SCHEMBL2961431 0.85 PIM1 (0.36) KDM4EPOLBSREBF2TP53BLM
SCHEMBL2970147 0.84 SREBF2 (0.38) KDM4ENPSR1POLBSREBF2BLM
SCHEMBL2968098 0.81 SREBF2 (0.39) KDM4EPOLBSREBF2TP53BLM
SCHEMBL2961869 0.81 PIM1 (0.42) KDM4ESREBF2TP53MAPTKMT2A
SCHEMBL2960103 0.81 KDM4E (0.33) KDM4EICAM1
SCHEMBL2965230 0.81 SREBF2 (0.37) KDM4ESREBF2MAPTL3MBTL1ALDH1A1

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 1822/4885NPSR1 3949/4885POLB 442/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885NPSR1 3949/4885POLB 442/4885

“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.