SCHEMBL2688668

SCHEMBL2688668

COc1cccc(C2CC(c3ccc(C#C[Si](C)(C)C)cc3)=NN2c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.62
▸ EGFR P00533 5/20 0.59
▸ ERBB2 P04626 4/20 0.59
▸ ATM Q13315 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ PTGS2 P35354 2/20 0.55
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ USP2 O75604 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ ERBB3 P21860 2/20 0.50
▸ KDR P35968 2/20 0.50
▸ PTK2 Q05397 2/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL2686830 0.89 EGFR (0.65) NR3C2EGFRERBB2ATML3MBTL1
SCHEMBL2688976 0.88 NR3C2 (0.62) NR3C2EGFRERBB2ATML3MBTL1
SCHEMBL2688266 0.87 MEN1 (0.56) NR3C2EGFRERBB2ATML3MBTL1
SCHEMBL2688704 0.86 EGFR (0.62) EGFRERBB2ATML3MBTL1MEN1
SCHEMBL2686716 0.85 MEN1 (0.56) NR3C2EGFRERBB2ATML3MBTL1
SCHEMBL2687316 0.81 CA1 (0.61) EGFRERBB2ATML3MBTL1PTGS2
SCHEMBL27847012 0.81 MEN1 (0.59) EGFRERBB2ATML3MBTL1RAB9A
SCHEMBL2688327 0.80 EGFR (0.70) NR3C2EGFRERBB2ATML3MBTL1
SCHEMBL9626269 0.79 PDE5A (0.71) EGFRERBB2ATML3MBTL1RAB9A
SCHEMBL2687368 0.78 EGFR (0.50) NR3C2EGFRERBB2ATML3MBTL1

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 NR3C2 4162/4885EGFR 427/4885ERBB2 1915/4885

“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