SCHEMBL2968577

SCHEMBL2968577

CC(=O)Nc1cccc(Sc2ccc(C)cc2Nc2ccnc3nc(C)ccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 2/20 0.39
GRM4 Q14833 1/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
TP53 P04637 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL2023477 0.90 AURKA (0.41) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2955721 0.90 KDR (0.39) KDRABCG2NPC1RAB9ASMN1; SMN2
SCHEMBL2969129 0.88 ABCG2 (0.42) KDRABCG2NPC1RAB9ASMN1; SMN2
SCHEMBL2970305 0.86 PIM1 (0.38) KDRABCG2SMN1; SMN2MAPTKDM4E
SCHEMBL2021057 0.85 PIM1 (0.41) KDRABCG2MAPTMEN1KMT2A
SCHEMBL2964026 0.84 PARP1 (0.36) SYKPIM1AKT2SIRT2
SCHEMBL2961459 0.84 POLB (0.38) NPC1RAB9AMAPTLMNATDP1
SCHEMBL2018796 0.83 PIM1 (0.42) ABCG2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2956184 0.83 EPHB4 (0.36) KDRSMN1; SMN2ALDH1A1LMNAPIM1
SCHEMBL2957625 0.83 SMN1; SMN2 (0.36) KDRNPC1RAB9ASMN1; SMN2MAPT

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 KDR 3293/4885ABCG2 956/4885NPC1 37/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KDR 3293/4885ABCG2 956/4885NPC1 37/4885

“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.