SCHEMBL4038418

SCHEMBL4038418

COc1cccc(-n2nc(Nc3ccccc3)nc2N)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.65
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.52
IMPDH2 P12268 1/20 0.52
KIT P10721 2/20 0.48
AXL P30530 1/20 0.48
AURKA O14965 1/20 0.48
JAK2 O60674 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA7 P43166 2/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL4043451 0.93 FLT3 (0.63) FLT3ALDH1A1MAPTHSD17B10IMPDH2
SCHEMBL4040002 0.87 FLT3 (0.67) FLT3ALDH1A1IMPDH2JAK2SMN1; SMN2
SCHEMBL4037275 0.87 FLT3 (0.56) FLT3ALDH1A1MAPTHSD17B10IMPDH2
SCHEMBL4039213 0.87 FLT3 (0.64) FLT3ALDH1A1IMPDH2KITAXL
SCHEMBL4042636 0.85 FLT3 (0.80) FLT3ALDH1A1MAPTIMPDH2KIT
SCHEMBL4038671 0.84 FLT3 (0.53) FLT3ALDH1A1KITSMN1; SMN2LMNA
SCHEMBL4047768 0.83 FLT3 (0.64) FLT3ALDH1A1IMPDH2JAK2SMN1; SMN2
SCHEMBL12779188 0.82 MAPK1 (0.53) FLT3ALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL4038398 0.82 FLT3 (0.62) FLT3ALDH1A1MAPTIMPDH2KIT
SCHEMBL4044251 0.81 FLT3 (0.60) FLT3ALDH1A1MAPTIMPDH2KIT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635641-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-03-25 EP claimed
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 220/4885ALDH1A1 3235/4885MAPT 937/4885

“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.