SCHEMBL4040836

SCHEMBL4040836

COc1cc(Nc2nc(N)n(-c3ccc(C#N)cc3)n2)ccc1OCCCN1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.71
AXL P30530 5/20 0.54
INSR P06213 1/20 0.52
EHMT2 Q96KQ7 1/20 0.49
EHMT1 Q9H9B1 1/20 0.49
IGF1R P08069 1/20 0.49
BACE1 P56817 6/20 0.48
MCHR1 Q99705 1/20 0.46
PDGFRB P09619 3/20 0.46
AURKA O14965 1/20 0.46
JAK2 O60674 1/20 0.46
KIT P10721 1/20 0.46
IRAK4 Q9NWZ3 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
SCHEMBL4046776 0.89 FLT3 (0.68) FLT3AXLINSREHMT2EHMT1
SCHEMBL4036384 0.85 FLT3 (0.60) FLT3AXLINSRAURKAKIT
SCHEMBL4036173 0.84 FLT3 (0.61) FLT3AXLINSRAURKAJAK2
SCHEMBL2088943 0.84 FLT3 (1.00) FLT3AXLINSRAURKAJAK2
SCHEMBL4043223 0.83 FLT3 (0.60) FLT3AXLBACE1PDGFRBAURKA
SCHEMBL4042846 0.82 FLT3 (0.72) FLT3AXLINSREHMT2EHMT1
SCHEMBL4631026 0.82 AXL (0.75) AXLINSRBACE1
SCHEMBL4045424 0.81 FLT3 (0.70) FLT3AXLINSREHMT2EHMT1
SCHEMBL4043027 0.80 FLT3 (0.61) FLT3AXLINSRBACE1AURKA
SCHEMBL12779915 0.79 FLT3 (0.59) FLT3AXLINSRBACE1PDGFRB

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 220/4885AXL 762/4885INSR 1646/4885

“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.