SCHEMBL16854836

SCHEMBL16854836

CC(C)c1cc2c(s1)CCOC2

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.36
FBP1 P09467 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
SCHEMBL14925534 0.86 PRKDC (0.36) PRKDC
SCHEMBL16327923 0.76 PNMT (0.52) FBP1
SCHEMBL2737322 0.73 ALDH1A1 (0.49)
SCHEMBL12090941 0.73 ALDH1A1 (0.45)
SCHEMBL18723671 0.73 FBP1 (0.35) FBP1
SCHEMBL12636655 0.73 PNMT (0.44)
SCHEMBL31035824 0.73 GRIN2B (0.37) FBP1
SCHEMBL18197636 0.73 KCNH2 (0.35) FBP1
SCHEMBL24342158 0.72 FBP1 (0.34) FBP1
SCHEMBL16809691 0.72 FBP1 (0.34) FBP1

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-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors BIOGEN MA INC. (US) 2019-05-07 US disclosed
US-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-11-24 US disclosed
EP-3085695-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2016-10-26 EP disclosed
WO-2015093534-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR 日産化学工業株式会社 2015-06-25 WO 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-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G PRKDC 4577/4885FBP1 4164/4885
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors ABL1, BTK, LYN PRKDC 36/4885FBP1 2719/4885

“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.