SCHEMBL3518065

SCHEMBL3518065

O=C(Nc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)n2)cc1)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.51
LMNA P02545 2/20 0.49
PDGFRB P09619 2/20 0.49
SRC P12931 2/20 0.49
ABL1 P00519 1/20 0.49
PDGFRA P16234 1/20 0.49
NAMPT P43490 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
JAK2 O60674 3/20 0.47
JAK3 P52333 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHUK O15111 3/20 0.45
IKBKG Q9Y6K9 1/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL3520829 0.85 IKBKB (0.65) IKBKBLMNAPDGFRBSRCABL1
SCHEMBL3518329 0.83 IKBKB (0.66) IKBKBLMNAPDGFRBSRCABL1
SCHEMBL3521199 0.83 IKBKB (0.67) IKBKBLMNASRCNAMPTMEN1
SCHEMBL3521929 0.82 IKBKB (0.67) IKBKBPDGFRBSRCNAMPTJAK2
SCHEMBL3516689 0.81 IKBKB (0.73) IKBKBPDGFRBSRCABL1JAK2
SCHEMBL3521161 0.81 IKBKB (0.61) IKBKBLMNAMEN1KMT2AJAK2
SCHEMBL3521505 0.79 KDM4E (0.66) IKBKBLMNAPDGFRBSRCMEN1
SCHEMBL4385257 0.76 JAK2 (0.70) IKBKBPDGFRBPDGFRAJAK2JAK3
SCHEMBL3518653 0.76 IKBKB (0.59) IKBKBABL1NAMPTJAK2JAK3
SCHEMBL3517708 0.76 IKBKB (0.78) IKBKBLMNAMEN1KMT2AJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US claimed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US claimed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 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-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 IKBKB 3246/4885LMNA 3544/4885PDGFRB 194/4885

“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.