SCHEMBL2286458

SCHEMBL2286458

COCC(C)Nc1ncc(-c2ccnc(Nc3cc(OC)ccc3OC)n2)s1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 14/20 0.48
FLT3 P36888 7/20 0.47
MKNK1 Q9BUB5 7/20 0.47
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
PIK3CG P48736 3/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39

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
SCHEMBL2282943 0.86 MKNK2 (0.51) MKNK2FLT3MKNK1ABL1BCR
SCHEMBL2283625 0.84 PIK3CG (0.57) MKNK2FLT3PIK3CGPIK3CAPIK3CB
SCHEMBL2285192 0.83 CDK2 (0.53) PIK3CGPIK3CAPIK3CB
SCHEMBL2285846 0.83 MKNK2 (0.50) MKNK2FLT3MKNK1MEN1ALDH1A1
SCHEMBL2279007 0.82 MKNK2 (0.49) MKNK2FLT3MKNK1
SCHEMBL2282939 0.81 LIMK1 (0.48) MKNK2FLT3MKNK1ABL1BCR
SCHEMBL2286485 0.78 MKNK2 (0.46) MKNK2FLT3MKNK1ABL1BCR
SCHEMBL2286244 0.77 CDK2 (0.51) ABL1BCRPIK3CGPIK3CAPIK3CB
SCHEMBL2288652 0.77 CDK2 (0.51) ABL1BCRPIK3CGPIK3CAPIK3CB
SCHEMBL2289567 0.76 SMN1; SMN2 (0.47) MKNK2FLT3MKNK1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 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 (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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX MKNK2 4101/4885FLT3 216/4885MKNK1 4404/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 MKNK2 4185/4885FLT3 211/4885MKNK1 4474/4885

“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.