SCHEMBL1554434

SCHEMBL1554434

O=C(Cc1ccc(Cl)nc1)c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
GSK3B P49841 1/20 0.50
ALDH1A1 P00352 5/20 0.49
POLB P06746 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CTNNB1 P35222 1/20 0.43
HPGD P15428 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
ABL1 P00519 1/20 0.43
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9048735 0.80 POLB (0.61) GSK3BALDH1A1POLBNPC1RAB9A
SCHEMBL11506839 0.76 LMNA (0.62) GSK3BALDH1A1POLBNPC1RAB9A
SCHEMBL1554856 0.75 L3MBTL1 (0.53) GSK3BALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18437367 0.74 ALDH1A1 (0.58) GSK3BALDH1A1POLBNPC1RAB9A
SCHEMBL1515726 0.74 NPC1 (0.62) GSK3BALDH1A1POLBNPC1RAB9A
SCHEMBL27589844 0.73 TDP1 (0.45) TDP1ALDH1A1NPC1RAB9ALMNA
SCHEMBL11267020 0.73 NPC1 (0.57) GSK3BALDH1A1POLBNPC1RAB9A
SCHEMBL30154481 0.72 GABRP (0.61) ALDH1A1NPC1RAB9ALMNAKMT2A
SCHEMBL256024 0.72 GABRP (0.61) ALDH1A1NPC1RAB9ALMNAKMT2A
SCHEMBL1257317 0.72 ALDH1A1 (0.47) TDP1ALDH1A1POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 EP disclosed
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 EP disclosed
EP-2246344-A1 Pyrimidine compounds and medicinal composition thereof Eisai R&D Management Co., Ltd. (JP) 2010-11-03 EP disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
EP-1439175-A1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-07-21 EP 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-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF CBR3, AHR, HCCS TDP1 1988/4885GSK3B 4240/4885ALDH1A1 692/4885
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof ADORA2B, ADORA2A, ADORA3 TDP1 3907/4885GSK3B 2130/4885ALDH1A1 414/4885

“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.