SCHEMBL385322

SCHEMBL385322

Nc1cccc(-c2cc(-c3ccccc3)[n+]([O-])cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.46
MAOA P21397 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GLA P06280 1/20 0.44
ASIC3 Q9UHC3 3/20 0.44
MAP4K4 O95819 3/20 0.41
MECP2 P51608 1/20 0.41
METAP2 P50579 1/20 0.40
NTRK1 P04629 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
NFKB1 P19838 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
SCHEMBL29030628 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL30566980 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL383734 0.82 HSD17B1 (0.49) ALDH1A1KDM4EMAPTLMNACTDSP1
SCHEMBL384921 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL386268 0.77 KDM4E (0.51) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL385296 0.77 KDM4E (0.51) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL386466 0.74 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2ACTDSP1
Hydrochloric Acid SCHEMBL386200 0.73 KDM4E (0.41) ALDH1A1KDM4ECTDSP1
SCHEMBL385488 0.72 KDM4E (0.43) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL386389 0.72 FYN (0.53) ALDH1A1KDM4EMAPTHPGDCTDSP1

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 ALDH1A1 3986/4885KDM4E 1821/4885MEN1 4294/4885

“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.