SCHEMBL17131582

SCHEMBL17131582

CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(Oc5ccccc5)c([N+](=O)[O-])c4)c4c(C)ncnc43)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB3 P21860 1/20 0.61
▸ SRC P12931 10/20 0.49
▸ LCK P06239 7/20 0.49
▸ TEK Q02763 5/20 0.49
▸ KDR P35968 3/20 0.49
▸ BTK Q06187 3/20 0.49
▸ ERBB2 P04626 9/20 0.48
▸ EGFR P00533 6/20 0.48
▸ PLK4 O00444 2/20 0.48
▸ AURKA O14965 2/20 0.48
▸ PAK4 O96013 2/20 0.48
▸ CHEK2 O96017 2/20 0.48
▸ NTRK1 P04629 2/20 0.48
▸ INSR P06213 2/20 0.48
▸ CSF1R P07333 2/20 0.48
▸ LYN P07948 2/20 0.48
▸ FLT1 P17948 2/20 0.48
▸ NEK2 P51955 2/20 0.48
▸ LIMK1 P53667 2/20 0.48
▸ PAK1 Q13153 2/20 0.48

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
SCHEMBL15705840 0.92 ERBB3 (0.71) ERBB3SRCLCKTEKKDR
SCHEMBL15648471 0.92 ERBB3 (0.61) ERBB3SRCLCKTEKKDR
SCHEMBL15648468 0.92 ERBB3 (0.61) ERBB3SRCLCKTEKKDR
SCHEMBL17131580 0.91 BTK (0.52) ERBB3SRCLCKTEKKDR
SCHEMBL17131581 0.88 ERBB3 (0.68) ERBB3SRCLCKTEKKDR
SCHEMBL17132397 0.87 ERBB3 (0.55) ERBB3SRCLCKTEKKDR
SCHEMBL17106409 0.83 BTK (0.60) ERBB3SRCLCKTEKKDR
SCHEMBL15647365 0.81 ERBB3 (0.52) ERBB3SRCLCKTEKKDR
SCHEMBL17132400 0.81 BTK (0.51) ERBB3SRCLCKTEKKDR
SCHEMBL15647942 0.80 ERBB3 (0.68) ERBB3SRCLCKTEKKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20150274738-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 ERBB3 16/4885SRC 322/4885LCK 401/4885
US-20180093990-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 ERBB3 16/4885SRC 322/4885LCK 401/4885

“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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