SCHEMBL798499

SCHEMBL798499

Cc1nc(C(C)C)[nH]c1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
GSK3B P49841 1/20 0.31

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
SCHEMBL8737268 0.77 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3787517 0.77 KDM4E (0.35) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL553988 0.75 SMPD3 (0.39) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL16520587 0.73 KDM4E (0.33) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL16520588 0.73 KDM4E (0.33) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL4751320 0.73
SCHEMBL3695993 0.70 KDM4E (0.32) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL553498 0.70 KDM4E (0.32) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL19542400 0.70 KDM4E (0.32) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL7976026 0.70 KDM4E (0.35) KDM4EHSD17B10LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090479-A1 THIAZOLES, IMIDAZOLES, AND PYRAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-8236832-B2 Thiazoles, imidazoles, and pyrazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2012-08-07 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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 (2 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 KDM4E 2191/4885HSD17B10 2252/4885LMNA 4258/4885
US-20130090479-A1 THIAZOLES, IMIDAZOLES, AND PYRAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K1, MAP3K20 KDM4E 2143/4885HSD17B10 4045/4885LMNA 2842/4885

“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.