SCHEMBL2689592

SCHEMBL2689592

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.54
▸ ERBB2 P04626 7/20 0.54
▸ ERBB3 P21860 2/20 0.54
▸ KDR P35968 2/20 0.54
▸ PTK2 Q05397 2/20 0.54
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ ATM Q13315 4/20 0.51
▸ PRKCZ Q05513 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ NR3C2 P08235 1/20 0.50
▸ RAB9A P51151 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAOB P27338 1/20 0.47

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
SCHEMBL2688672 0.94 EGFR (0.62) EGFRERBB2ERBB3KDRPTK2
SCHEMBL15301033 0.92 EGFR (0.62) EGFRERBB2ERBB3KDRPTK2
SCHEMBL2687368 0.91 EGFR (0.50) EGFRERBB2ERBB3KDRPTK2
SCHEMBL2687812 0.90 MEN1 (0.62) EGFRERBB2ERBB3KDRPTK2
SCHEMBL15300830 0.89 EGFR (0.65) EGFRERBB2ERBB3KDRPTK2
SCHEMBL15301281 0.89 MEN1 (0.60) EGFRERBB2ERBB3KDRPTK2
SCHEMBL2687298 0.88 MEN1 (0.59) EGFRERBB2ERBB3KDRPTK2
SCHEMBL15301362 0.86 MEN1 (0.60) EGFRERBB2ERBB3KDRPTK2
SCHEMBL15301173 0.86 PRKCZ (0.64) EGFRERBB2ERBB3KDRPTK2
SCHEMBL23052047 0.86 EGFR (0.69) EGFRERBB2ERBB3KDRPTK2

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 1915/4885ERBB3 2429/4885

“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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