SCHEMBL17106352

SCHEMBL17106352

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)c([N+](=O)[O-])c1)nn2C1CCN(CCNC(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB3 P21860 3/20 0.57
▸ BTK Q06187 14/20 0.53
▸ NUDT14 O95848 1/20 0.53
▸ NUDT5 Q9UKK9 1/20 0.53
▸ EGFR P00533 6/20 0.52
▸ LCK P06239 6/20 0.51
▸ SRC P12931 3/20 0.51
▸ TEK Q02763 2/20 0.51
▸ KDR P35968 1/20 0.51
▸ LYN P07948 2/20 0.50
▸ ITK Q08881 3/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ ERBB2 P04626 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ YES1 P07947 1/20 0.49
▸ HCK P08631 1/20 0.49
▸ FGR P09769 1/20 0.49
▸ FER P16591 1/20 0.49
▸ CSK P41240 1/20 0.49
▸ TEC P42680 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
SCHEMBL17106347 1.00 ERBB3 (0.57) ERBB3BTKNUDT14NUDT5EGFR
SCHEMBL15705844 0.92 ERBB3 (0.54) ERBB3BTKNUDT14NUDT5EGFR
SCHEMBL15706058 0.90 BTK (0.57) ERBB3BTKNUDT14NUDT5EGFR
SCHEMBL15705846 0.87 ERBB3 (0.78) ERBB3BTKNUDT14NUDT5EGFR
SCHEMBL17106291 0.87 ERBB3 (0.78) ERBB3BTKNUDT14NUDT5EGFR
SCHEMBL22197107 0.86 BTK (0.53) ERBB3BTKNUDT14NUDT5EGFR
SCHEMBL15706057 0.83 ERBB3 (0.68) ERBB3BTKNUDT14NUDT5EGFR
SCHEMBL22197159 0.83 BTK (0.58) ERBB3BTKNUDT14NUDT5EGFR
SCHEMBL15705840 0.83 ERBB3 (0.71) ERBB3BTKNUDT14NUDT5EGFR
SCHEMBL15648086 0.83 BTK (0.58) ERBB3BTKNUDT14NUDT5EGFR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48175-E1 Hydrophobically tagged small molecules as inducers of protein degradation DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-08-25 — — US disclosed
US-20180354954-A9 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-13 — — US disclosed
US-20180093990-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-05 — — US disclosed
US-9758522-B2 Hydrophobically tagged small molecules as inducers of protein degradation DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-12 — — US disclosed
US-20150274738-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION Dana-Farber Cancer, Institute, Inc. (US) 2015-10-01 — — 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 (3 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-20180354954-A9 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 ERBB3 16/4885BTK 2764/4885NUDT14 2683/4885
US-20150274738-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 ERBB3 16/4885BTK 2764/4885NUDT14 2683/4885
US-20180093990-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 ERBB3 16/4885BTK 2764/4885NUDT14 2683/4885

“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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