SCHEMBL4047768

SCHEMBL4047768

Nc1nc(Nc2ccccc2)nn1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.64
LMNA P02545 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
GLA P06280 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.54
TSHR P16473 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
IMPDH2 P12268 1/20 0.50
JAK2 O60674 1/20 0.50
JAK3 P52333 1/20 0.50

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
SCHEMBL12779064 0.91 FLT3 (0.55) FLT3LMNASMN1; SMN2GLAL3MBTL1
SCHEMBL1248063 0.88 FLT3 (0.53) FLT3LMNASMN1; SMN2GLAL3MBTL1
SCHEMBL4039312 0.87 FLT3 (0.62) FLT3LMNASMN1; SMN2GLAL3MBTL1
SCHEMBL4039213 0.85 FLT3 (0.64) FLT3LMNASMN1; SMN2ALDH1A1CA12
SCHEMBL12779226 0.85 FLT3 (0.60) FLT3LMNASMN1; SMN2GLAL3MBTL1
SCHEMBL4036342 0.85 FLT3 (0.66) FLT3LMNASMN1; SMN2GLAL3MBTL1
SCHEMBL7090108 0.85 FLT3 (0.51) FLT3LMNASMN1; SMN2GLAL3MBTL1
SCHEMBL4036045 0.83 FLT3 (0.58) FLT3LMNASMN1; SMN2GLAALDH1A1
SCHEMBL4038418 0.83 FLT3 (0.65) FLT3LMNASMN1; SMN2ALDH1A1CA1
SCHEMBL4043648 0.82 FLT3 (0.60) FLT3LMNASMN1; SMN2GLAL3MBTL1

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 8 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
US-6924302-B2 Substituted triazole diamine derivatives as kinase inhibitors ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2005-08-02 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 220/4885LMNA 3537/4885SMN1; SMN2 3129/4885

“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.