SCHEMBL4043706

SCHEMBL4043706

CNC(=O)c1ccc(-n2nc(Nc3ccc4c(c3)OCO4)nc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
GAA P10253 2/20 0.56
FLT3 P36888 2/20 0.52
TP53 P04637 2/20 0.48
JAK2 O60674 1/20 0.46
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
NR4A1 P22736 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL2088175 0.89 FLT3 (0.63) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL4045266 0.89 FLT3 (0.55) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL4042646 0.87 FLT3 (0.52) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL4043093 0.84 FLT3 (0.48) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL2086178 0.83 FLT3 (0.59) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL4042074 0.79 FLT3 (0.62) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL4037566 0.75 FLT3 (0.59) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL4037968 0.73 FLT3 (0.62) MAPTSMN1; SMN2NPC1RAB9AFLT3
SCHEMBL4042908 0.73 MAPT (0.47) MAPTNPC1RAB9AGAAFLT3
SCHEMBL12845571 0.72 LMNA (0.45) MAPTSMN1; SMN2NPC1RAB9AGAA

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 MAPT 937/4885SMN1; SMN2 3129/4885NPC1 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.