SCHEMBL1772292

SCHEMBL1772292

Nc1cnc2[nH]cc(C(F)(F)F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
ULK1 O75385 1/20 0.41
MAP3K12 Q12852 14/20 0.39
DLK1 P80370 2/20 0.39
NTRK1 P04629 1/20 0.38
GSK3B P49841 1/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
KIT P10721 1/20 0.37

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
SCHEMBL1774189 0.83 NTRK1 (0.38) PRMT5WDR77NTRK1GSK3BKIT
SCHEMBL15185725 0.79 CYP3A4 (0.44) PRMT5WDR77MAP3K12DLK1
SCHEMBL15882593 0.79 PLK4 (0.50) PRMT5WDR77MAP3K12DLK1CDK2
SCHEMBL19754801 0.77 PRMT5 (0.41) PRMT5WDR77MAP3K12DLK1
SCHEMBL24565956 0.76 PRMT5 (0.43) PRMT5WDR77MAP3K12DLK1
SCHEMBL13523638 0.76 MAP3K12 (0.47) PRMT5WDR77MAP3K12DLK1
SCHEMBL22264317 0.75 RPS6KA5 (0.42) PRMT5WDR77MAP3K12DLK1
SCHEMBL21053645 0.73 PRMT5 (0.41) PRMT5WDR77MAP3K12DLK1
SCHEMBL31311028 0.73 PRMT5 (0.41) PRMT5WDR77MAP3K12DLK1
SCHEMBL1772696 0.73 ALDH1A1 (0.50) PRMT5WDR77MAP3K12DLK1

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-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 US disclosed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 US disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 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-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PRMT5 2445/4885WDR77 2667/4885ULK1 740/4885

“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.