SCHEMBL4040002

SCHEMBL4040002

COc1cccc(-n2nc(Nc3ccc(C(=O)O)cc3)nc2N)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.67
ALDH1A1 P00352 1/20 0.57
JAK2 O60674 3/20 0.56
JAK1 P23458 2/20 0.52
TYK2 P29597 2/20 0.52
JAK3 P52333 1/20 0.52
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CSNK2A1 P68400 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
LMNA P02545 1/20 0.46
IMPDH2 P12268 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL4047489 0.88 FLT3 (0.74) FLT3ALDH1A1JAK2JAK1TYK2
SCHEMBL4038418 0.87 FLT3 (0.65) FLT3ALDH1A1JAK2SMN1; SMN2CA1
SCHEMBL4043451 0.85 FLT3 (0.63) FLT3ALDH1A1JAK2SMN1; SMN2CA1
SCHEMBL4036342 0.85 FLT3 (0.66) FLT3ALDH1A1JAK2JAK1TYK2
SCHEMBL4038671 0.84 FLT3 (0.53) FLT3ALDH1A1JAK1TYK2CSNK2A1
SCHEMBL4042636 0.81 FLT3 (0.80) FLT3ALDH1A1JAK2SMN1; SMN2IMPDH2
SCHEMBL12779220 0.80 FLT3 (1.00) FLT3ALDH1A1JAK2SMN1; SMN2CA1
SCHEMBL2086414 0.78 FLT3 (0.80) FLT3ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL1356016 0.77 GSK3B (0.58) ALDH1A1JAK2GSK3AGSK3BCSNK2A1
SCHEMBL3203321 0.77 JAK2 (0.81) JAK2JAK1JAK3CSNK2A1

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 220/4885ALDH1A1 3235/4885JAK2 112/4885

“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.