SCHEMBL17106337

SCHEMBL17106337

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.57
▸ SRC P12931 11/20 0.54
▸ KDR P35968 9/20 0.54
▸ EGFR P00533 6/20 0.54
▸ PIK3CD O00329 5/20 0.54
▸ ABL1 P00519 5/20 0.54
▸ HCK P08631 5/20 0.54
▸ PIK3CA P42336 5/20 0.54
▸ PIK3CB P42338 5/20 0.54
▸ MTOR P42345 5/20 0.54
▸ PIK3CG P48736 5/20 0.54
▸ EPHB4 P54760 5/20 0.54
▸ PRKDC P78527 5/20 0.54
▸ PI4KB Q9UBF8 3/20 0.54
▸ RET P07949 1/20 0.49
▸ LCK P06239 9/20 0.49
▸ TEK Q02763 6/20 0.49
▸ ERBB2 P04626 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ ERBB3 P21860 1/20 0.47

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
SCHEMBL15706055 0.94 BTK (0.58) BTKSRCKDREGFRPIK3CD
SCHEMBL17106420 0.90 SRC (0.56) BTKSRCKDREGFRPIK3CD
SCHEMBL25793050 0.88 BTK (0.58) BTKSRCKDREGFRPIK3CD
SCHEMBL30320466 0.88 BTK (0.58) BTKSRCKDREGFRPIK3CD
SCHEMBL17106409 0.88 BTK (0.60) BTKSRCKDREGFRPIK3CD
SCHEMBL15706054 0.81 BTK (0.61) BTKSRCKDREGFRPIK3CD
SCHEMBL29763108 0.80 BTK (0.73) BTKSRCKDREGFRABL1
SCHEMBL6433918 0.80 BTK (0.73) BTKSRCKDREGFRABL1
SCHEMBL6434918 0.80 BTK (0.73) BTKSRCKDREGFRABL1
SCHEMBL5801409 0.80 BTK (0.73) BTKSRCKDREGFRABL1

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 10 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-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 BTK 2764/4885SRC 322/4885KDR 1084/4885
US-20150274738-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 BTK 2764/4885SRC 322/4885KDR 1084/4885
US-20180093990-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 BTK 2764/4885SRC 322/4885KDR 1084/4885

“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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