SCHEMBL2399990

SCHEMBL2399990

COc1ccc(Nc2ncnc(-c3ccnc(NCC(C)C)c3)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 4/20 0.47
▸ CCNA2 P20248 2/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ CCNB2 O95067 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CCND3 P30281 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ CSNK1A1 P48729 1/20 0.45
▸ CSNK1D P48730 1/20 0.45
▸ CSNK1E P49674 1/20 0.45
▸ CDK7 P50613 1/20 0.45
▸ CCNH P51946 1/20 0.45
▸ CSNK1G2 P78368 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ CDK6 Q00534 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45

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
SCHEMBL27841039 0.85 TBK1 (0.47) TBK1CCNA2CDK2CCNB2CDK1
SCHEMBL2330210 0.81 TBK1 (0.51) TBK1CCNA2CDK2CCNB2CDK1
SCHEMBL27843906 0.79 PIK3CA (0.53) TBK1CDK2CDK1CDK4CCNB1
SCHEMBL27824876 0.75 TBK1 (0.47) TBK1CDK2CDK1CDK4CCNB1
SCHEMBL2327890 0.74 HPGD (0.48) TBK1PIK3CASRC
SCHEMBL8348534 0.71 KMT2A (0.49) MEN1KMT2A
SCHEMBL27112164 0.70 TEK (0.51) TBK1CCNA2CDK2CCNB2CDK1
SCHEMBL6488247 0.70 CDK2 (0.47) CCNA2CDK2CCNB2CDK1CDK4
SCHEMBL27119385 0.69 KDM1A (0.49) TBK1CDK2CDK1CDK4CCNB1
SCHEMBL14214745 0.69 CDK1 (0.65) TBK1CCNA2CDK2CCNB2CDK1

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-20110237594-A1 FUNGICIDE HERETOCYCLYL-TRIAZINYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-09-29 — — 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 (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-20110237594-A1 FUNGICIDE HERETOCYCLYL-TRIAZINYL-AMINO DERIVATIVES CYP4X1, RDX, PRXL2A TBK1 3526/4885CCNA2 1504/4885CDK2 1085/4885

“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