SCHEMBL2687316

SCHEMBL2687316

Cc1ccc(N2N=C(c3ccc(C#C[Si](C)(C)C)cc3)CC2c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.61
▸ CA2 P00918 5/20 0.61
▸ EGFR P00533 3/20 0.56
▸ ERBB2 P04626 2/20 0.56
▸ ERBB3 P21860 1/20 0.56
▸ KDR P35968 1/20 0.56
▸ PTK2 Q05397 1/20 0.56
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ PTGS2 P35354 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ATM Q13315 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ GAA P10253 3/20 0.49
▸ GLA P06280 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HTT P42858 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
SCHEMBL2688266 0.93 MEN1 (0.56) CA1CA2EGFRERBB2ERBB3
SCHEMBL2686716 0.91 MEN1 (0.56) EGFRERBB2ERBB3KDRPTK2
SCHEMBL2688532 0.91 CA1 (0.66) CA1CA2EGFRERBB2ERBB3
SCHEMBL8171059 0.84 CA1 (0.73) CA1CA2EGFRERBB2ERBB3
SCHEMBL11208392 0.84 EGFR (0.74) CA1CA2EGFRERBB2ERBB3
SCHEMBL2686830 0.84 EGFR (0.65) CA1CA2EGFRERBB2ERBB3
SCHEMBL2687368 0.84 EGFR (0.50) EGFRERBB2ERBB3KDRPTK2
SCHEMBL2686834 0.84 MEN1 (0.49) EGFRERBB2ERBB3KDRPTK2
SCHEMBL2688704 0.83 EGFR (0.62) EGFRERBB2ERBB3KDRPTK2
SCHEMBL2687298 0.81 MEN1 (0.59) CA1CA2EGFRERBB2ERBB3

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 CA1 3936/4885CA2 3181/4885EGFR 427/4885

“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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