SCHEMBL2961874

SCHEMBL2961874

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
TP53 P04637 2/20 0.33
BLM P54132 1/20 0.33
MAPK14 Q16539 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
IDE P14735 1/20 0.32
PIK3CA P42336 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
GCK P35557 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
SCHEMBL2960103 0.91 KDM4E (0.33) KDM4ELMNA
SCHEMBL2969119 0.91 KDM4E (0.40) KDM4EPOLBFLT1FLT4KDR
SCHEMBL2961459 0.89 POLB (0.38) SCN9APOLBTP53LMNAMAPT
SCHEMBL2965230 0.86 SREBF2 (0.37) KDM4ESMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL2955721 0.86 KDR (0.39) KDM4EPOLBKDRTP53MAPK14
SCHEMBL2961431 0.85 PIM1 (0.36) KDM4EPOLBTP53BLMALDH1A1
SCHEMBL2960105 0.84 HTR1A (0.32) ALDH1A1MAPT
SCHEMBL2969808 0.84 MEN1 (0.37) KDM4EPOLBKDRSMN1; SMN2LMNA
SCHEMBL2969099 0.84 KDR (0.38) KDM4EKDRMAPK14SMN1; SMN2ALDH1A1
SCHEMBL2957726 0.84 KDR (0.38) KDM4EKDRMAPK14SMN1; SMN2LMNA

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 SCN9A 3852/4885KDM4E 1822/4885POLB 442/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SCN9A 3852/4885KDM4E 1822/4885POLB 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.