SCHEMBL2687262

SCHEMBL2687262

CC(C)(C)CC(C)(C)c1ccc(C2CC(c3ccc(C#Cc4ccccc4)cc3)=NN2c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ GAA P10253 3/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ EGFR P00533 7/20 0.47
▸ ERBB2 P04626 6/20 0.47
▸ ERBB3 P21860 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ PTK2 Q05397 1/20 0.47
▸ ATM Q13315 5/20 0.46
▸ NR3C2 P08235 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL2687617 0.94 EGFR (0.53) MEN1KMT2AGAAHSP90AA1EGFR
SCHEMBL2690255 0.92 MEN1 (0.45) MEN1KMT2AGAAHSP90AA1EGFR
SCHEMBL28361399 0.90 EGFR (0.53) MEN1KMT2AGAAHSP90AA1EGFR
SCHEMBL2687616 0.88 MEN1 (0.53) MEN1KMT2AGAAHSP90AA1EGFR
SCHEMBL2687259 0.86 MEN1 (0.45) MEN1KMT2AGAAHSP90AA1EGFR
SCHEMBL2687812 0.85 MEN1 (0.62) MEN1KMT2AGAAHSP90AA1EGFR
SCHEMBL2687298 0.83 MEN1 (0.59) MEN1KMT2AGAAHSP90AA1EGFR
SCHEMBL2687114 0.82 EGFR (0.58) MEN1KMT2AGAAHSP90AA1EGFR
SCHEMBL2688214 0.81 PRKCZ (0.59) MEN1KMT2AEGFRERBB2ATM
SCHEMBL2687614 0.81 MEN1 (0.50) MEN1KMT2AGAAHSP90AA1EGFR

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 MEN1 215/4885KMT2A 3944/4885GAA 4022/4885

“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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