SCHEMBL4042074

SCHEMBL4042074

N#Cc1ccc(-n2nc(Nc3ccc4c(c3)OCO4)nc2N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.62
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.43
ULK1 O75385 1/20 0.43
TGFBR1 P36897 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHB4 P54760 1/20 0.40
AURKA O14965 1/20 0.40
KIT P10721 1/20 0.40

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
SCHEMBL4037968 0.94 FLT3 (0.62) FLT3USP2NPC1MAPTRAB9A
SCHEMBL4046024 0.85 FLT3 (0.56) FLT3LMNAULK1CLK1CLK2
SCHEMBL4045998 0.82 FLT3 (0.68) FLT3LMNAGAAMAPTEPHB4
SCHEMBL4045266 0.82 FLT3 (0.55) FLT3LMNAULK1TGFBR1NPC1
SCHEMBL2088175 0.82 FLT3 (0.63) FLT3USP2LMNANPC1GAA
SCHEMBL4043706 0.79 MAPT (0.56) FLT3USP2LMNANPC1GAA
SCHEMBL4042646 0.79 FLT3 (0.52) FLT3USP2LMNAULK1NPC1
SCHEMBL4037566 0.78 FLT3 (0.59) FLT3USP2LMNANPC1GAA
SCHEMBL4044990 0.78 FLT3 (0.62) FLT3MAPTAURKAKITIRAK4
SCHEMBL2088943 0.77 FLT3 (1.00) FLT3MAPTSMN1; SMN2AURKAKIT

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 220/4885USP2 2267/4885LMNA 3537/4885

“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.