SCHEMBL5694097

SCHEMBL5694097

C=CCOC(=O)Nc1nc(F)nc2nc[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CCNA1 P78396 2/20 0.42
▸ MGMT P16455 1/20 0.42
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ TNNI3K Q59H18 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SYK P43405 2/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35

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
SCHEMBL5694087 0.87 XDH (0.49) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL5694222 0.74 GDA (0.55) MGMTTNNI3KGDABRAFBRD4
SCHEMBL7064418 0.73 MEN1 (0.41) MEN1KMT2ACSNK2A2CSNK2A1EGFR
SCHEMBL5694112 0.70 NPC1 (0.49) MEN1KMT2ATP53TSHRKDM4E
SCHEMBL5694052 0.69 BRD4 (0.67) TNNI3KSTAT3HDAC1BRD4
SCHEMBL5694256 0.68 CDK1 (0.50) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL28004888 0.67 ADORA3 (0.52) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL30523426 0.67 CYP1A2 (0.65) CDK1CDK2TNNI3KHSD17B10TP53
SCHEMBL5694120 0.66 MEN1 (0.39) MEN1KMT2ACSNK2A2CSNK2A1HSD17B10
SCHEMBL11883748 0.66 MEN1 (0.39) MEN1KMT2ACSNK2A2CSNK2A1HSD17B10

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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside MITSUI CHEMICALS, INC. (JP) 2006-07-27 — — US disclosed
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 — — EP 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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside NSUN2, POLR2H, POLB CDK1 447/4885CCNB1 74/4885CCNA2 73/4885

“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.

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