SCHEMBL17106420

SCHEMBL17106420

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 17/20 0.56
▸ KDR P35968 11/20 0.56
▸ EGFR P00533 10/20 0.56
▸ ERBB2 P04626 3/20 0.56
▸ PLK4 O00444 2/20 0.56
▸ AURKA O14965 2/20 0.56
▸ PAK4 O96013 2/20 0.56
▸ CHEK2 O96017 2/20 0.56
▸ NTRK1 P04629 2/20 0.56
▸ INSR P06213 2/20 0.56
▸ CSF1R P07333 2/20 0.56
▸ LYN P07948 2/20 0.56
▸ FLT1 P17948 2/20 0.56
▸ NEK2 P51955 2/20 0.56
▸ LIMK1 P53667 2/20 0.56
▸ PAK1 Q13153 2/20 0.56
▸ STK3 Q13188 2/20 0.56
▸ ROCK1 Q13464 2/20 0.56
▸ ERBB4 Q15303 2/20 0.56
▸ CDC42BPA Q5VT25 2/20 0.56

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
SCHEMBL17106337 0.90 BTK (0.57) SRCKDREGFRERBB2IGF1R
SCHEMBL15705840 0.86 ERBB3 (0.71) SRCKDREGFRERBB2PLK4
SCHEMBL15706055 0.83 BTK (0.58) SRCKDREGFRBTKRET
SCHEMBL17131582 0.77 ERBB3 (0.61) SRCKDREGFRERBB2PLK4
SCHEMBL17106409 0.77 BTK (0.60) SRCKDREGFRERBB2IGF1R
SCHEMBL24096741 0.77 PIK3CD (0.57) SRCKDREGFRIGF1RABL1
SCHEMBL30320466 0.77 BTK (0.58) SRCKDREGFRBTKRET
SCHEMBL25793050 0.77 BTK (0.58) SRCKDREGFRBTKRET
SCHEMBL13020084 0.76 SRC (0.67) SRCKDREGFRERBB2PLK4
SCHEMBL24096567 0.75 SRC (0.61) SRCKDREGFRABL1HCK

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 12 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-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-20180093990-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-05 — — 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-9758522-B2 Hydrophobically tagged small molecules as inducers of protein degradation DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-12 — — 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
US-20150274738-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION Dana-Farber Cancer, Institute, Inc. (US) 2015-10-01 — — 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 SRC 322/4885KDR 1084/4885EGFR 21/4885
US-20150274738-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 SRC 322/4885KDR 1084/4885EGFR 21/4885
US-20180093990-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 SRC 322/4885KDR 1084/4885EGFR 21/4885

“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.

Send feedback