SCHEMBL2437264

SCHEMBL2437264

CN(CC1CC1)C(=O)c1cc(-c2ncnc(Nc3ccccc3)n2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 2/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PIP5K1B O14986 1/20 0.43
▸ PIP5K1C O60331 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PI4KA P42356 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ PDK1 Q15118 1/20 0.43
▸ PIP5K1A Q99755 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43
▸ PTK2 Q05397 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ SYK P43405 2/20 0.41
▸ CAMK2D Q13557 2/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ CDK4 P11802 2/20 0.40
▸ CCND1 P24385 2/20 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
SCHEMBL2444010 0.89 TBK1 (0.40) PDGFRBPIK3CDPIP5K1BPIP5K1CPIK3CA
SCHEMBL2443143 0.77 CNR2 (0.34) PDGFRBPIK3CDPIP5K1BPIP5K1CPIK3CA
SCHEMBL2327348 0.75 CDK1 (0.42) PDGFRBPIK3CGSYKCAMK2DCDK5
SCHEMBL27112183 0.72 CAMK2D (0.51) PDGFRBPIK3CGCAMK2DTBK1CDK5
SCHEMBL13140861 0.72 BCL6 (0.48) PDGFRBSYKCAMK2DTBK1CDK5
SCHEMBL2323218 0.70 PTGIR (0.37) NPY5RBUB1
SCHEMBL31098537 0.70 ALDH1A1 (0.46) —
SCHEMBL2326760 0.69 CDK1 (0.51) PDGFRBPIK3CGCAMK2DTBK1CDK5
SCHEMBL6476844 0.69 BCL6 (0.55) PDGFRBPIK3CGCAMK2DTBK1CDK5
SCHEMBL2325948 0.69 CAMK2D (0.62) PIK3CGCAMK2DTBK1CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-09-08 — — 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-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP1A2, PNPO PDGFRB 1854/4885PIK3CD 1588/4885PIP5K1B 547/4885

“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.

Send feedback