SCHEMBL1493317

SCHEMBL1493317

COc1cc2ncc(N)cn2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
BRAF P15056 1/20 0.35
DYRK3 O43781 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
BRCA1 P38398 1/20 0.33
HBB P68871 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NNMT P40261 1/20 0.33
GRM5 P41594 1/20 0.32

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
SCHEMBL1493332 0.83 BRAF (0.38) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1493328 0.78 KDM4E (0.37) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16478034 0.76 LMNA (0.38) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1490692 0.74 MAPT (0.43) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL1493375 0.74 LMNA (0.37) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1493299 0.69 RAB9A (0.54) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL18397083 0.68 APOBEC3A (0.49) KDM4EHSD17B10NNMTJAK2
SCHEMBL30433675 0.68 BRAF (0.35) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1493264 0.67 CHEK1 (0.43) BRAF
SCHEMBL31710836 0.67 NPC1 (0.53) LMNANPC1RAB9ASMN1; 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 LMNA 1431/4885NPC1 2144/4885RAB9A 787/4885

“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.