SCHEMBL4038649

SCHEMBL4038649

COc1ccccc1Nc1nc(N)n(-c2cc(NCCN(C)C)ncn2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 1.00
IRAK4 Q9NWZ3 7/20 1.00
KIT P10721 5/20 1.00
AURKA O14965 4/20 1.00
AXL P30530 1/20 0.43
JAK2 O60674 1/20 0.43
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAD52 P43351 1/20 0.42
BLM P54132 1/20 0.42
ATM Q13315 1/20 0.42
PTK2 Q05397 1/20 0.40
MEN1 O00255 1/20 0.39
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK7 Q13164 1/20 0.38
LRRK2 Q5S007 1/20 0.38
EGFR P00533 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL14369678 0.92 FLT3 (0.84) FLT3IRAK4KITAURKAAXL
SCHEMBL4037438 0.87 FLT3 (0.77) FLT3IRAK4KITAURKAJAK2
SCHEMBL4037223 0.85 KIT (0.74) FLT3IRAK4KITAURKAAXL
SCHEMBL4043076 0.85 FLT3 (0.73) FLT3IRAK4KITAURKAAXL
SCHEMBL4041296 0.84 FLT3 (0.73) FLT3IRAK4KITAURKAAXL
SCHEMBL4039188 0.83 FLT3 (0.70) FLT3IRAK4KITAURKAJAK2
SCHEMBL12779832 0.83 FLT3 (0.70) FLT3IRAK4KITAURKAAXL
SCHEMBL4040322 0.80 FLT3 (0.67) FLT3IRAK4KITAURKAAXL
SCHEMBL14369684 0.78 FLT3 (0.64) FLT3IRAK4KITAURKAAXL
SCHEMBL12779908 0.78 FLT3 (0.64) FLT3IRAK4KITAURKAAXL

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-2051967-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS AstraZeneca AB (SE) 2009-04-29 EP disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 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 220/4885IRAK4 566/4885KIT 1144/4885

“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.