SCHEMBL1493333

SCHEMBL1493333

CN1CCN(c2cccc(-c3cc(N)[nH]n3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.55
MELK Q14680 1/20 0.54
PRKD1 Q15139 9/20 0.48
AGXT P21549 1/20 0.47
JAK2 O60674 1/20 0.45
FLT3 P36888 1/20 0.44
LCK P06239 1/20 0.43
HCK P08631 1/20 0.43
SRC P12931 1/20 0.43
KDR P35968 1/20 0.43
MAP4K1 Q92918 1/20 0.43

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
SCHEMBL12692679 0.78 ADORA2A (0.54) JAK2
SCHEMBL3620897 0.76 ADRA2C (0.55) ADRA2CMELKAGXTJAK2FLT3
SCHEMBL1792824 0.75 MELK (0.46) ADRA2CMELKPRKD1AGXTLCK
SCHEMBL1792823 0.75 MELK (0.46) ADRA2CMELKPRKD1AGXTLCK
SCHEMBL3580409 0.75 ADRA2C (0.54) ADRA2CMELKAGXTJAK2FLT3
SCHEMBL5534704 0.74 MELK (0.47) MELKPRKD1JAK2FLT3MAP4K1
SCHEMBL30574697 0.74 ADRA2C (0.49) ADRA2CMELKPRKD1AGXT
SCHEMBL30108214 0.73 HTR1A (0.64) ADRA2CAGXT
SCHEMBL448110 0.72 ADRA2C (1.00) ADRA2CAGXT
SCHEMBL28977172 0.72 MELK (0.86) MELKPRKD1JAK2FLT3KDR

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
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC (US) 2012-06-21 US disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 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-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ADRA2C 3557/4885MELK 324/4885PRKD1 430/4885

“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.