SCHEMBL2686830

SCHEMBL2686830

COc1ccc(C2CC(c3ccc(C#C[Si](C)(C)C)cc3)=NN2c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.65
▸ ERBB2 P04626 2/20 0.65
▸ L3MBTL1 Q9Y468 5/20 0.64
▸ ATM Q13315 4/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ MEN1 O00255 5/20 0.63
▸ KMT2A Q03164 5/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ MAPT P10636 3/20 0.63
▸ LMNA P02545 1/20 0.63
▸ PDE5A O76074 6/20 0.60
▸ USP2 O75604 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ GLA P06280 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ CDC42 P60953 1/20 0.58
▸ CA1 P00915 1/20 0.58

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
SCHEMBL2686716 0.92 MEN1 (0.56) EGFRERBB2L3MBTL1ATMRAB9A
SCHEMBL2688327 0.91 EGFR (0.70) EGFRERBB2L3MBTL1ATMRAB9A
SCHEMBL2688266 0.90 MEN1 (0.56) EGFRERBB2L3MBTL1ATMMEN1
SCHEMBL2688668 0.89 NR3C2 (0.62) EGFRERBB2L3MBTL1ATMRAB9A
SCHEMBL10362296 0.88 EGFR (0.81) EGFRERBB2L3MBTL1ATMRAB9A
SCHEMBL2688987 0.87 EGFR (0.65) EGFRERBB2L3MBTL1ATMRAB9A
SCHEMBL2686834 0.85 MEN1 (0.49) EGFRERBB2L3MBTL1ATMRAB9A
SCHEMBL2687368 0.85 EGFR (0.50) EGFRERBB2L3MBTL1ATMRAB9A
SCHEMBL9514571 0.85 MEN1 (0.78) EGFRERBB2L3MBTL1ATMRAB9A
SCHEMBL8171663 0.85 MEN1 (0.83) EGFRERBB2L3MBTL1ATMRAB9A

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-8168796-B2 Fluorescent agent having ethynyl group NIPPON CHEMICAL WORKS CO., LTD. (JP) 2012-05-01 — — US disclosed
US-20100298573-A1 FLUORESCENT AGENT HAVING ETHYNYL GROUP NIPPON CHEMICAL WORKS CO., LTD (JP) 2010-11-25 — — 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-20100298573-A1 FLUORESCENT AGENT HAVING ETHYNYL GROUP IK, CCNE1, TAS2R45 EGFR 427/4885ERBB2 1915/4885L3MBTL1 2181/4885

“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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