SCHEMBL25684464

SCHEMBL25684464

NCCN/C(=C1\C(=O)Nc2ccc(Br)cc21)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 3/20 0.50
▸ CDK1 P06493 3/20 0.50
▸ CCNB1 P14635 3/20 0.50
▸ CCNB3 Q8WWL7 3/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ CCR6 P51684 1/20 0.50
▸ MAPT P10636 1/20 0.45
▸ TGM2 P21980 2/20 0.44
▸ CES1 P23141 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PDPK1 O15530 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ MAP1LC3B Q9GZQ8 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ BRD2 P25440 2/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL25684459 0.89 CCNB2 (0.41) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL25682888 0.88 CCNB2 (0.48) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL25684740 0.88 CCNB2 (0.42) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL25684468 0.87 IDO1 (0.43) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL25684472 0.85 CCNB2 (0.39) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL25683243 0.80 HSP90AA1 (0.46) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL25684743 0.80 TGM2 (0.39) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL25686009 0.80 HSP90AA1 (0.38) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL2826131 0.79 CCNB2 (0.56) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL2826129 0.79 CCNB2 (0.56) CCNB2CDK1CCNB1CCNB3HSP90AA1

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
WO-2023104170-A1 COMPOUNDS FOR TREATING POLYQ-RELATED NEURODEGENERATIVE DISORDERS HANGZHOU JIJING PHARMACEUTICAL TECHNOLOGY LIMITED (CN) 2023-06-15 — — WO disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — 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-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CCNB2 1328/4885CDK1 293/4885CCNB1 1064/4885

“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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