SCHEMBL4039280

SCHEMBL4039280

CCOc1ccc(Nc2nc(N)n(-c3ccccc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.60
KMT2A Q03164 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
PKM P14618 1/20 0.55
AXL P30530 3/20 0.53
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 1/20 0.50
BACE1 P56817 3/20 0.49
INSR P06213 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
RAD52 P43351 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL4044251 0.87 FLT3 (0.60) FLT3MAPTALDH1A1NPSR1LMNA
SCHEMBL4041216 0.84 AXL (0.69) FLT3AXLBACE1JAK2
SCHEMBL4039312 0.84 FLT3 (0.62) FLT3AXLBACE1ALDH1A1L3MBTL1
SCHEMBL4043648 0.82 FLT3 (0.60) FLT3AXLALDH1A1L3MBTL1LMNA
SCHEMBL4047768 0.82 FLT3 (0.64) FLT3NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL4039213 0.81 FLT3 (0.64) FLT3KMT2AAXLALDH1A1LMNA
SCHEMBL4043603 0.80 FLT3 (0.57) FLT3MAPTALDH1A1L3MBTL1LMNA
SCHEMBL4233948 0.80 AXL (0.77) AXLBACE1INSR
SCHEMBL4038398 0.79 FLT3 (0.62) FLT3KMT2ANPC1RAB9AAXL
SCHEMBL12779226 0.78 FLT3 (0.60) FLT3NPC1RAB9APKMALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US 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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 FLT3 220/4885KMT2A 912/4885NPC1 2770/4885

“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.