SCHEMBL4038549

SCHEMBL4038549

COc1ccccc1Nc1nc(N)n(-c2cc(Nc3ccccc3)nc(C)n2)n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 12/20 0.61
IRAK4 Q9NWZ3 6/20 0.61
KIT P10721 5/20 0.61
AURKA O14965 6/20 0.55
JAK2 O60674 2/20 0.48
AXL P30530 1/20 0.48
JAK3 P52333 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
IMPDH2 P12268 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
SCHEMBL4045911 0.90 FLT3 (0.49) FLT3IRAK4KITAURKAJAK2
SCHEMBL4038717 0.87 FLT3 (0.58) FLT3IRAK4KITAURKAJAK2
SCHEMBL2086901 0.87 FLT3 (0.47) FLT3IRAK4KITAURKAJAK2
SCHEMBL12779928 0.86 MAPT (0.55) FLT3IRAK4KITAURKAJAK2
SCHEMBL12779832 0.86 FLT3 (0.70) FLT3IRAK4KITAURKAJAK2
SCHEMBL4047577 0.85 FLT3 (0.42) FLT3IRAK4KITAURKAJAK2
SCHEMBL4038708 0.83 FLT3 (0.55) FLT3IRAK4KITAURKAJAK2
SCHEMBL4040465 0.83 LMNA (0.50) FLT3IRAK4KITAURKAJAK2
SCHEMBL4043077 0.81 FLT3 (0.45) FLT3IRAK4KITAURKAJAK2
SCHEMBL4037526 0.81 FLT3 (0.47) FLT3IRAK4KITAURKAJAK2

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
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP 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
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 US disclosed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US disclosed
EP-1299385-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-04-09 EP disclosed
WO-2002000653-A2 FUSED CYCLIC COMPOUNDS AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-03 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 (3 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 220/4885IRAK4 566/4885KIT 1144/4885
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 FLT3 860/4885IRAK4 402/4885KIT 3363/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 FLT3 860/4885IRAK4 402/4885KIT 3363/4885

“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.