SCHEMBL4041081

SCHEMBL4041081

Nc1nc(Nc2cccc(OCc3ccccc3)c2)nn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.56
SYK P43405 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
PTK6 Q13882 1/20 0.46
MAOB P27338 1/20 0.46
IMPDH2 P12268 1/20 0.46
GLA P06280 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KIT P10721 1/20 0.43
MAPK1 P28482 1/20 0.43
JAK2 O60674 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
BCHE P06276 1/20 0.43
LIPC P11150 1/20 0.43
ACHE P22303 1/20 0.43
LIPE Q05469 1/20 0.43

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
SCHEMBL4037275 0.93 FLT3 (0.56) FLT3SYKMAOBIMPDH2ALDH1A1
SCHEMBL4040549 0.92 FLT3 (0.55) FLT3SYKSIRT2MAOBIMPDH2
SCHEMBL4044251 0.87 FLT3 (0.60) FLT3SYKPTK6IMPDH2GLA
SCHEMBL4041560 0.87 FLT3 (0.60) FLT3SYKSIRT2PTK6ALDH1A1
SCHEMBL4039047 0.84 SYK (0.58) FLT3SYKSIRT2CTSVCTSL
SCHEMBL12780091 0.84 FLT3 (0.47) FLT3SYKSIRT2CTSVCTSL
SCHEMBL4047768 0.78 FLT3 (0.64) FLT3IMPDH2GLAALDH1A1LMNA
SCHEMBL4038418 0.77 FLT3 (0.65) FLT3IMPDH2ALDH1A1LMNASMN1; SMN2
SCHEMBL1167123 0.76 TYK2 (0.51) SIRT2CTSVCTSLJAK2HDAC6
SCHEMBL4039312 0.75 FLT3 (0.62) FLT3IMPDH2GLAALDH1A1LMNA

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 9 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-2051847-A1 COMPRESSED-AIR BRAKE LINE Evonik Degussa GmbH (DE) 2009-04-29 EP disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
WO-2008049689-A1 COMPRESSED-AIR BRAKE LINE EVONIK DEGUSSA GMBH (DE) 2008-05-02 WO 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 220/4885SYK 782/4885SIRT2 1479/4885

“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.