SCHEMBL2086901

SCHEMBL2086901

Cc1nc(Nc2ccccc2)cc(-n2nc(Nc3ccccc3)nc2N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 12/20 0.47
KIT P10721 6/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
IRAK4 Q9NWZ3 3/20 0.46
AXL P30530 2/20 0.46
AURKA O14965 2/20 0.46
JAK2 O60674 1/20 0.46
POLB P06746 2/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
PTPN7 P35236 1/20 0.42
CREBBP Q92793 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
INSR P06213 1/20 0.41
JAK1 P23458 1/20 0.40
TYK2 P29597 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
SCHEMBL4040465 0.95 LMNA (0.50) FLT3KITCYP1A2CYP2D6IRAK4
SCHEMBL4043348 0.93 FLT3 (0.47) FLT3KITCYP1A2CYP2D6IRAK4
SCHEMBL4037526 0.93 FLT3 (0.47) FLT3KITCYP1A2CYP2D6IRAK4
SCHEMBL12779928 0.89 MAPT (0.55) FLT3KITIRAK4AXLAURKA
SCHEMBL4036308 0.89 JAK2 (0.48) FLT3KITCYP1A2CYP2D6IRAK4
SCHEMBL4047577 0.89 FLT3 (0.42) FLT3KITCYP1A2CYP2D6IRAK4
SCHEMBL12781962 0.88 FLT3 (0.48) FLT3KITIRAK4AXLAURKA
SCHEMBL12779081 0.88 FLT3 (0.48) FLT3KITCYP1A2CYP2D6IRAK4
SCHEMBL4038549 0.87 FLT3 (0.61) FLT3KITIRAK4AXLAURKA
SCHEMBL4043077 0.87 FLT3 (0.45) FLT3KITIRAK4AXLAURKA

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 13 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
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-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
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
EP-1562589-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-17 EP disclosed
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 US disclosed
WO-2004046120-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-06-03 WO 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 (2 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 220/4885KIT 1144/4885CYP1A2 3941/4885
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K5 FLT3 220/4885KIT 1144/4885CYP1A2 3941/4885

“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.