SCHEMBL1493386

SCHEMBL1493386

Nc1cnc2cc(N3CCCC3)nn2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
BRAF P15056 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH4 Q9H3N8 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMPD3 Q9NY59 2/20 0.35
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NUDT1 P36639 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
UBE2T Q9NPD8 1/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
JAK2 O60674 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
SCHEMBL1493319 0.75 MAPT (0.55) ALDH1A1MAPK1GAAMAPTTDP1
SCHEMBL16478034 0.73 LMNA (0.38) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL29931956 0.71 ALDH1A1 (0.44) ALDH1A1MAPK1GAAMAPTHRH4
SCHEMBL22027731 0.69 JAK2 (0.47) ALDH1A1MAPK1GAAMAPTHRH4
SCHEMBL1493375 0.68 LMNA (0.37) ALDH1A1TDP1SMN1; SMN2KDM4ENPC1
SCHEMBL1493299 0.67 RAB9A (0.54) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL1493317 0.67 LMNA (0.40) ALDH1A1BRAFSMN1; SMN2KDM4ENPC1
SCHEMBL1493408 0.67 BRAF (0.38) ALDH1A1BRAFHRH4SMN1; SMN2KDM4E
SCHEMBL241019 0.66 UBE2T (0.56) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL29377723 0.66 UBE2T (0.56) ALDH1A1GAAMAPTSMN1; SMN2KDM4E

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 1505/4885MAPK1 27/4885BRAF 1/4885

“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.