SCHEMBL4037629

SCHEMBL4037629

COc1cc(Nc2nc(N)nn2-c2ccc(C#N)cc2)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.55
GAK O14976 2/20 0.45
RIPK2 O43353 2/20 0.45
COQ8A Q8NI60 2/20 0.45
NLK Q9UBE8 2/20 0.45
PTK2 Q05397 2/20 0.43
BRAF P15056 1/20 0.42
AXL P30530 1/20 0.41
ADORA1 P30542 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1B Q00975 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL12845287 0.89 FLT3 (0.49) FLT3GAKRIPK2COQ8ANLK
SCHEMBL4038395 0.87 FLT3 (0.44) FLT3GAKRIPK2COQ8ANLK
SCHEMBL4047466 0.84 FLT3 (0.53) FLT3PTK2BRAFAXLDHFR
SCHEMBL4038352 0.82 FLT3 (0.80) FLT3GAKRIPK2COQ8ANLK
SCHEMBL4036739 0.81 FLT3 (0.51) FLT3BRAFMEN1USP2ALDH1A1
SCHEMBL4040469 0.74 FLT3 (0.73) FLT3PTK2AXLCYP2C9CYP2C19
SCHEMBL2086558 0.73 FLT3 (0.80) FLT3PTK2AXLCYP2C9CYP2C19
SCHEMBL4042878 0.73 FLT3 (0.65) FLT3GAKRIPK2COQ8ANLK
SCHEMBL13514060 0.73 FLT3 (0.49) FLT3GAKRIPK2COQ8ANLK
SCHEMBL4044461 0.72 JAK2 (0.53) FLT3AXLALDH1A1

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 4 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
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
CN-1738615-A Diaminotriazoles as inhibitors of protein kinases VERTEX PHARMA (US) 2006-02-22 CN 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 220/4885GAK 188/4885RIPK2 338/4885

“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.