SCHEMBL2688672

SCHEMBL2688672

CC(C)c1ccc(C2CC(c3ccc(C#Cc4ccc(Cl)cc4)cc3)=NN2c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.62
▸ ERBB2 P04626 5/20 0.62
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ ATM Q13315 2/20 0.59
▸ PRKCZ Q05513 5/20 0.58
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ MAOB P27338 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ERBB3 P21860 2/20 0.52
▸ KDR P35968 2/20 0.52
▸ PTK2 Q05397 2/20 0.52
▸ HSP90AA1 P07900 1/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL2689592 0.94 EGFR (0.54) EGFRERBB2MEN1KMT2AATM
SCHEMBL2690231 0.90 EGFR (0.65) EGFRERBB2MEN1KMT2AATM
SCHEMBL15301033 0.89 EGFR (0.62) EGFRERBB2MEN1KMT2AATM
SCHEMBL2687368 0.88 EGFR (0.50) EGFRERBB2MEN1KMT2AATM
SCHEMBL2687114 0.86 EGFR (0.58) EGFRERBB2MEN1KMT2AATM
SCHEMBL2688987 0.86 EGFR (0.65) EGFRERBB2MEN1KMT2AATM
SCHEMBL15300830 0.86 EGFR (0.65) EGFRERBB2MEN1KMT2AATM
SCHEMBL15301281 0.86 MEN1 (0.60) EGFRERBB2MEN1KMT2AATM
SCHEMBL2687812 0.85 MEN1 (0.62) EGFRERBB2MEN1KMT2AATM
SCHEMBL15301173 0.84 PRKCZ (0.64) EGFRERBB2MEN1KMT2AATM

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 1915/4885MEN1 215/4885

“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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