SCHEMBL2688529

SCHEMBL2688529

CC(C)(C)c1ccc(C=CC2CC(c3ccc(C#Cc4ccccc4)cc3)=NN2c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.40
▸ MEN1 O00255 9/20 0.37
▸ KMT2A Q03164 9/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ATM Q13315 6/20 0.35
▸ L3MBTL1 Q9Y468 6/20 0.35
▸ GAA P10253 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ GLA P06280 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ERBB2 P04626 5/20 0.35
▸ ERBB3 P21860 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ PTK2 Q05397 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34

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
SCHEMBL2688378 0.89 EGFR (0.49) EGFRMEN1KMT2ATDP1USP2
SCHEMBL2687810 0.86 MEN1 (0.53) EGFRMEN1KMT2ATDP1USP2
SCHEMBL2687109 0.83 EGFR (0.39) EGFRMEN1KMT2ATDP1USP2
SCHEMBL2687616 0.81 MEN1 (0.53) EGFRMEN1KMT2AATML3MBTL1
SCHEMBL2687349 0.80 PRKCZ (0.43) EGFRMEN1KMT2ATDP1ATM
SCHEMBL9152437 0.78 EGFR (0.60) EGFRMEN1KMT2ATDP1ATM
SCHEMBL2688972 0.77 MEN1 (0.42) EGFRMEN1KMT2ATDP1ATM
SCHEMBL2687114 0.75 EGFR (0.58) EGFRMEN1KMT2ATDP1ATM
SCHEMBL2688214 0.74 PRKCZ (0.59) EGFRMEN1KMT2ATDP1ATM
SCHEMBL2686834 0.73 MEN1 (0.49) EGFRMEN1KMT2AATML3MBTL1

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 427/4885MEN1 215/4885KMT2A 3944/4885

“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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