SCHEMBL3473292

SCHEMBL3473292

Brc1c[nH]nc1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 4/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL11624487 0.78 RPS6KB2 (0.44) RPS6KB2ADORA2AADORA1MEN1KMT2A
SCHEMBL2877926 0.78 ADORA2A (0.42) RPS6KB2ADORA2AADORA1MEN1KMT2A
SCHEMBL2049905 0.78 RPS6KB2 (0.41) RPS6KB2ADORA2AADORA1MEN1KMT2A
SCHEMBL8597397 0.76 RPS6KB2 (0.40) RPS6KB2ADORA2AADORA1MEN1KMT2A
SCHEMBL1337388 0.74 ERN1 (0.43) RPS6KB2ADORA2AMEN1KMT2AKDM4E
SCHEMBL27545086 0.74 RPS6KB2 (0.38) RPS6KB2ADORA2AMEN1KMT2AKDM4E
SCHEMBL11937877 0.74 ADORA2A (0.41) RPS6KB2ADORA2AADORA1MEN1KMT2A
SCHEMBL28454459 0.73 RPS6KB2 (0.50) RPS6KB2ADORA2AADORA1MEN1KMT2A
SCHEMBL27410513 0.71 KDM4E (0.50) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL27379488 0.71 RPS6KB2 (0.39) RPS6KB2ADORA2AMEN1KMT2AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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 (1 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 RPS6KB2 1477/4885ADORA2A 455/4885ADORA1 280/4885

“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.