SCHEMBL386323

SCHEMBL386323

Cc1cc(-c2cc(-c3cccc(Br)c3)nc[n+]2[O-])ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HSP90AA1 P07900 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B1 P14061 7/20 0.40
HSD17B2 P37059 7/20 0.40
ESR2 Q92731 3/20 0.39
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL386252 0.88 TLR8 (0.36) HSD17B1HSD17B2ESR2CDC7PIM1
SCHEMBL383387 0.84 TLR8 (0.44) NPC1RAB9AHSP90AA1ALOX15HSD17B1
SCHEMBL385491 0.83 TLR8 (0.36) NPC1RAB9AHSP90AA1ALOX15HSD17B1
SCHEMBL385493 0.82 TLR8 (0.43) HSD17B1HSD17B2ESR2CDC7PIM1
SCHEMBL383765 0.82 TP53 (0.40) HSD17B1HSD17B2ESR2TP53CDC7
SCHEMBL384944 0.81 TLR8 (0.38) HSD17B1HSD17B2ESR2LMNACDC7
SCHEMBL385779 0.80 TLR8 (0.45) HSD17B1HSD17B2ESR2MEN1MAPT
SCHEMBL385225 0.79 CHEK1 (0.40) HSD17B1HSD17B2ESR2MAPTCDC7
SCHEMBL385056 0.78 TLR8 (0.47) NPC1RAB9AALOX15MEN1MAPT
SCHEMBL386262 0.77 ESR1 (0.36) HSD17B1HSD17B2ESR2CDC7PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
EP-1948617-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 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-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 NPC1 4365/4885RAB9A 3959/4885HSP90AA1 2603/4885

“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.