SCHEMBL2961884

SCHEMBL2961884

CCOC(=O)C(C#N)c1ccc2c(Nc3cc(C)ccc3Sc3ccc(N)cc3)ccnc2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PIM1 P11309 1/20 0.30
AKT2 P31751 1/20 0.30
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
VCAM1 P19320 1/20 0.30

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
SCHEMBL2960434 0.90 SMN1; SMN2 (0.36) SMN1; SMN2MEN1GAAKMT2AKDM4E
SCHEMBL2957101 0.81 NPR3 (0.34) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL2021585 0.79 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL2968519 0.79 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL2022784 0.77 PIM1 (0.39) GAAL3MBTL1KDM4ELMNAALDH1A1
SCHEMBL2970865 0.77 SREBF2 (0.36) L3MBTL1KDM4EALDH1A1MAPTPIM1
SCHEMBL2971410 0.75 LMNA (0.34) SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL2968828 0.75 AURKA (0.38) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL2957245 0.74 PIM1 (0.39) MEN1GAAKMT2AMAPTPIM1
SCHEMBL2971384 0.74 PIM1 (0.42) SMN1; SMN2GAAKDM4ELMNAALDH1A1

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 SMN1; SMN2 3135/4885MEN1 4571/4885GAA 504/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 3135/4885MEN1 4571/4885GAA 504/4885

“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.