SCHEMBL12461900

SCHEMBL12461900

CN(C)CCc1nc(Br)c(Br)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 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
SCHEMBL12462290 0.72 MAPK14 (0.42)
SCHEMBL13546274 0.67
SCHEMBL31144682 0.66 SLC6A4 (0.43) TAAR1
SCHEMBL9521547 0.63 POLB (0.66)
SCHEMBL9414092 0.60 TAAR1 (0.40) TAAR1
SCHEMBL8801709 0.58 HRH3 (0.31) TAAR1
SCHEMBL2148633 0.58 TAAR1 (0.49) TAAR1
SCHEMBL69879 0.57
SCHEMBL16692756 0.54 TAAR1 (0.47) TAAR1
SCHEMBL31424472 0.54 RAD52 (0.36)

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-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
WO-2011085269-A1 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 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 (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-20130040983-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF TAAR1 4072/4885PIM1 679/4885PIM2 709/4885

“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.