SCHEMBL1493393

SCHEMBL1493393

Cn1ncc(-c2cc(N)[nH]n2)c1N

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 2/20 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
SCHEMBL16780344 0.73 ALDH1A1 (0.36) ALDH1A1POLBGAAKDM4ESMN1; SMN2
SCHEMBL1493391 0.69 PIM1 (0.50) PRMT5WDR77
SCHEMBL1493367 0.67 LMNA (0.46) ALDH1A1GAAKDM4ENPC1HSD17B10
SCHEMBL9970857 0.67 PI4KA (0.40) ALDH1A1POLBGAASMN1; SMN2GLA
SCHEMBL3582094 0.65 PI4KA (0.38) ALDH1A1POLB
SCHEMBL8228313 0.64 DYRK1A (0.54) ALDH1A1KDM4ENPC1MAPT
SCHEMBL1857868 0.64 NPC1 (0.54) ALDH1A1GAAKDM4ENPC1HSD17B10
SCHEMBL17355073 0.64 ALOX15 (0.58) ALDH1A1GAAKDM4ENPC1HSD17B10
SCHEMBL8227604 0.63 DYRK1A (0.41) ALDH1A1POLBGAAKDM4ESMN1; SMN2
SCHEMBL4856665 0.63 ALPL (0.58) ALDH1A1GAAKDM4ENPC1HSD17B10

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 ALDH1A1 1505/4885POLB 2053/4885GAA 2214/4885

“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.