SCHEMBL4479002

SCHEMBL4479002

CSc1nccc(-c2ccc(C=CC(C)=O)s2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
GABRA1 P14867 1/20 0.44
PFKFB3 Q16875 1/20 0.43
PIK3CA P42336 2/20 0.43
MMP8 P22894 4/20 0.42
MMP3 P08254 2/20 0.42
RAB9A P51151 1/20 0.41
CCKBR P32239 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DYRK3 O43781 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
MAPK14 Q16539 3/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 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
SCHEMBL4479001 1.00 LMNA (0.45) LMNAGABRA1PFKFB3PIK3CAMMP8
SCHEMBL4486942 0.88 GABRA1 (0.43) LMNAGABRA1PFKFB3PIK3CAMMP8
SCHEMBL4486940 0.88 GABRA1 (0.43) LMNAGABRA1PFKFB3PIK3CAMMP8
SCHEMBL2199571 0.82 GABRA1 (0.48) LMNAGABRA1PFKFB3PIK3CAMMP8
SCHEMBL4483641 0.81 LMNA (0.41) LMNAGABRA1PFKFB3PIK3CAMMP8
SCHEMBL4483645 0.81 LMNA (0.41) LMNAGABRA1PFKFB3PIK3CAMMP8
SCHEMBL13992612 0.78 LMNA (0.49) LMNAGABRA1PFKFB3PIK3CAMMP8
SCHEMBL2975950 0.75 PFKFB3 (0.52) LMNAGABRA1PFKFB3PIK3CAMMP8
SCHEMBL8290784 0.74 LMNA (0.53) LMNAGABRA1PFKFB3PIK3CAMMP8
SCHEMBL12423584 0.71 GABRA1 (0.46) LMNAGABRA1PFKFB3PIK3CAMMP8

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
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-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 LMNA 4667/4885GABRA1 2955/4885PFKFB3 670/4885

“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.