SCHEMBL4047489

SCHEMBL4047489

COc1ccc(-n2nc(Nc3ccc(C(=O)O)cc3)nc2N)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.74
ALDH1A1 P00352 1/20 0.64
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA12 O43570 2/20 0.57
CA9 Q16790 2/20 0.57
JAK2 O60674 3/20 0.56
CHEK1 O14757 1/20 0.52
NTRK2 Q16620 1/20 0.52
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
CDKN1A P38936 1/20 0.49
CSNK2A1 P68400 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
AXL P30530 1/20 0.46
RORC P51449 1/20 0.45

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
SCHEMBL4040002 0.88 FLT3 (0.67) FLT3ALDH1A1CA1CA2CA12
SCHEMBL12779220 0.85 FLT3 (1.00) FLT3ALDH1A1CA1CA2CA12
SCHEMBL4039213 0.85 FLT3 (0.64) FLT3ALDH1A1CA1CA2CA12
SCHEMBL4036342 0.85 FLT3 (0.66) FLT3ALDH1A1CA1CA2CA12
SCHEMBL4038398 0.83 FLT3 (0.62) FLT3ALDH1A1CA1CA2CA12
SCHEMBL2086414 0.83 FLT3 (0.80) FLT3ALDH1A1CA1CA2CA12
SCHEMBL12779223 0.81 FLT3 (0.53) FLT3ALDH1A1CA1CA2CA12
SCHEMBL4036497 0.80 FLT3 (0.58) FLT3ALDH1A1CA1CA2CA12
SCHEMBL4038992 0.79 FLT3 (0.80) FLT3ALDH1A1CA1CA2CA12
SCHEMBL4459015 0.78 JAK1 (0.52) JAK2JAK1TYK2JAK3

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 3235/4885CA1 2384/4885

“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.