SCHEMBL13638304

SCHEMBL13638304

C=C1CC(Nc2nccc(-c3ccc(-c4cccc(NC(C)=O)c4)s3)n2)CC(C)(C)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.45
PLK1 P53350 1/20 0.44
SYK P43405 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABL1 P00519 1/20 0.38
PDGFRB P09619 1/20 0.38
BCR P11274 1/20 0.38
PDGFRA P16234 1/20 0.38
CHEK1 O14757 1/20 0.38
BRAF P15056 1/20 0.38
JAK2 O60674 5/20 0.38
TP53 P04637 1/20 0.38
STAT1 P42224 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 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
SCHEMBL14612877 0.90 ROCK2 (0.38) PLK1SYKPDGFRBPDGFRAHDAC1
SCHEMBL4477041 0.88 NQO2 (0.50) NQO2PLK1SYKNPC1RAB9A
SCHEMBL14612851 0.85 CDK5 (0.37) PLK1SYKNPC1RAB9AABL1
SCHEMBL13638470 0.84 CHEK1 (0.34) ABL1CHEK1BRAFHDAC1HDAC6
SCHEMBL14612878 0.83 MKNK1 (0.44) SYKBRAFJAK2
SCHEMBL14612849 0.83 IKBKB (0.35) PLK1
SCHEMBL13638501 0.83 HDAC8 (0.41) ABL1BCRJAK2JAK3HDAC1
SCHEMBL13638286 0.83 ROCK2 (0.35) HDAC1HDAC6
SCHEMBL13638671 0.82 HDAC8 (0.38) ALDH1A1ABL1BCRKDM4EHDAC1
SCHEMBL14612850 0.81 AKT3 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NQO2 1228/4885PLK1 1005/4885SYK 95/4885

“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.