SCHEMBL4044746

SCHEMBL4044746

Nc1nc(Nc2cccc(S(N)(=O)=O)c2)nn1-c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.67
KIT P10721 8/20 0.67
IRAK4 Q9NWZ3 3/20 0.59
JAK2 O60674 2/20 0.59
AURKA O14965 2/20 0.59
AXL P30530 3/20 0.56
JAK1 P23458 1/20 0.54
TYK2 P29597 1/20 0.54
JAK3 P52333 1/20 0.54
BMPR2 Q13873 1/20 0.53
CDK1 P06493 4/20 0.53
CCNT1 O60563 3/20 0.53
CCNB1 P14635 3/20 0.53
CDK9 P50750 3/20 0.53
ROCK1 Q13464 1/20 0.50
CDK2 P24941 1/20 0.48
MTOR P42345 1/20 0.48
SMG1 Q96Q15 1/20 0.48

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
SCHEMBL4037722 0.87 FLT3 (0.68) FLT3KITIRAK4JAK2AURKA
SCHEMBL4037878 0.82 FLT3 (0.73) FLT3KITIRAK4JAK2AURKA
SCHEMBL4039004 0.81 FLT3 (0.69) FLT3KITIRAK4JAK2AURKA
SCHEMBL29929656 0.81 FLT3 (0.72) FLT3KITIRAK4JAK2AURKA
SCHEMBL3955894 0.81 FLT3 (0.72) FLT3KITIRAK4JAK2AURKA
SCHEMBL4039203 0.80 FLT3 (0.73) FLT3KITIRAK4JAK2AURKA
SCHEMBL4046870 0.80 FLT3 (1.00) FLT3KITIRAK4JAK2AURKA
SCHEMBL4040331 0.79 FLT3 (0.65) FLT3KITIRAK4JAK2AURKA
SCHEMBL4041779 0.79 FLT3 (0.72) FLT3KITIRAK4JAK2AURKA
SCHEMBL4041751 0.78 FLT3 (0.72) FLT3KITIRAK4JAK2AURKA

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 220/4885KIT 1144/4885IRAK4 566/4885

“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.