SCHEMBL9007548

SCHEMBL9007548

CCNCC(O)COCC

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.83
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL15942904 0.84 KDM4E (0.87) KDM4EHSD17B10
SCHEMBL16948555 0.84 KDM4E (0.59) KDM4EMEN1KMT2A
SCHEMBL13592713 0.83 KDM4E (0.58) KDM4EHSD17B10MEN1KMT2A
SCHEMBL14198102 0.83 KDM4E (0.57) KDM4EKMT2A
SCHEMBL15829104 0.79 KDM4E (0.77) KDM4EHSD17B10
SCHEMBL11231874 0.79 KDM4E (0.53) KDM4ETSHRHSD17B10
SCHEMBL16948554 0.79 KDM4E (0.53) KDM4EHSD17B10MEN1KMT2A
SCHEMBL5360755 0.79 KDM4E (0.70) KDM4EHSD17B10
SCHEMBL11235646 0.79 KDM4E (0.53) KDM4EKMT2A
SCHEMBL13882631 0.79

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-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885TSHR 3626/4885HSD17B10 3343/4885

“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.