SCHEMBL4493324

SCHEMBL4493324

C[S+]([O-])c1nccc(-c2ccc(Br)s2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
KDM4E B2RXH2 4/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RXFP1 Q9HBX9 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 2/20 0.36
PPARG P37231 2/20 0.36
NCOA2 Q15596 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALOX12 P18054 2/20 0.35
ALOX15 P16050 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
SCHEMBL7425777 0.76 GABRA1 (0.37) MAPTKDM4EDKK1GSK3BIKBKB
SCHEMBL6840009 0.74 MEN1 (0.41) MAPTALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL16200161 0.73 LMNA (0.30) MAPTSMN1; SMN2TP53LMNA
SCHEMBL2198536 0.71 MAPT (0.43) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL2982444 0.71 MAPT (0.45) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL3061377 0.71 KDM4E (0.54) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL12423195 0.71 PIK3CG (0.46) ABL1DKK1GSK3BIKBKB
SCHEMBL2197193 0.71 LMNA (0.50) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL27997668 0.70 AURKA (0.50) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL2198259 0.69 KDM4E (0.38) MAPTKDM4ERAB9ASMN1; SMN2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK MAPT 3501/4885KDM4E 839/4885RAB9A 4057/4885

“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.