SCHEMBL4098876

SCHEMBL4098876

CC(C)(C)C(=O)Nc1ccc(Nc2cc(NCCCO)ncn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CHEK1 O14757 1/20 0.45
JAK2 O60674 3/20 0.44
KDM4D Q6B0I6 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
ERBB3 P21860 6/20 0.41
MPL P40238 2/20 0.41
JAK3 P52333 4/20 0.40
JAK1 P23458 2/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL4112001 0.87 L3MBTL1 (0.46) EGFRL3MBTL1CHEK1JAK2ABL1
SCHEMBL2174775 0.78 MEN1 (0.68) EGFRCHEK1ABL1BCRERBB3
SCHEMBL4108813 0.77 NPC1 (0.56) EGFRL3MBTL1JAK2ERBB3
SCHEMBL8798594 0.73 EGFR (0.85) EGFRL3MBTL1CHEK1
SCHEMBL4760023 0.72 EGFR (0.60) EGFRABL1BCRERBB3MPL
SCHEMBL4108856 0.72 CYP1A2 (0.52) L3MBTL1ABL1BCR
SCHEMBL4103359 0.72 JAK3 (0.50) EGFRL3MBTL1JAK2ERBB3JAK3
SCHEMBL4116164 0.71 CYP1A2 (0.54) EGFRL3MBTL1ERBB3
SCHEMBL12487942 0.71 JAK2 (0.60) JAK2ABL1BCRJAK3JAK1
SCHEMBL4109552 0.71 MPL (0.52) EGFRERBB3MPL

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-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US claimed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 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-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 EGFR 4439/4885L3MBTL1 3236/4885CHEK1 433/4885

“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.