SCHEMBL4486942

SCHEMBL4486942

COC(=O)C=Cc1ccc(-c2ccnc(SC)n2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
PFKFB3 Q16875 1/20 0.43
MMP8 P22894 4/20 0.41
MMP3 P08254 2/20 0.41
PIK3CA P42336 2/20 0.40
CCKBR P32239 1/20 0.39
DYRK3 O43781 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
LMNA P02545 1/20 0.39
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
CCNA1 P78396 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 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
SCHEMBL4486940 1.00 GABRA1 (0.43) GABRA1PFKFB3MMP8MMP3PIK3CA
SCHEMBL4479002 0.88 LMNA (0.45) GABRA1PFKFB3MMP8MMP3PIK3CA
SCHEMBL4479001 0.88 LMNA (0.45) GABRA1PFKFB3MMP8MMP3PIK3CA
SCHEMBL2199571 0.78 GABRA1 (0.48) GABRA1PFKFB3MMP8MMP3PIK3CA
SCHEMBL4483641 0.77 LMNA (0.41) GABRA1PFKFB3MMP8MMP3PIK3CA
SCHEMBL4483645 0.77 LMNA (0.41) GABRA1PFKFB3MMP8MMP3PIK3CA
SCHEMBL13992612 0.71 LMNA (0.49) GABRA1PFKFB3MMP8MMP3PIK3CA
SCHEMBL2975950 0.71 PFKFB3 (0.52) GABRA1PFKFB3MMP8MMP3PIK3CA
SCHEMBL8290784 0.70 LMNA (0.53) GABRA1PFKFB3MMP8MMP3PIK3CA
SCHEMBL14340898 0.70 RAB9A (0.45) KDM4EALDH1A1HPGDRAB9AKMT2A

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 GABRA1 2955/4885PFKFB3 670/4885MMP8 1521/4885

“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.