SCHEMBL17106310

SCHEMBL17106310

CC(=O)N1CCN([C@H]2CC[C@H](n3nc(I)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 8/20 0.64
▸ RET P07949 5/20 0.64
▸ LCK P06239 5/20 0.64
▸ KDR P35968 5/20 0.64
▸ JAK2 O60674 3/20 0.64
▸ PLK4 O00444 3/20 0.64
▸ NTRK1 P04629 3/20 0.64
▸ INSR P06213 3/20 0.64
▸ LIMK1 P53667 3/20 0.64
▸ STK3 Q13188 3/20 0.64
▸ AURKB Q96GD4 3/20 0.64
▸ PRKD3 O94806 2/20 0.64
▸ MAP4K4 O95819 2/20 0.64
▸ CDK1 P06493 2/20 0.64
▸ ROS1 P08922 2/20 0.64
▸ FER P16591 2/20 0.64
▸ RPS6KB1 P23443 2/20 0.64
▸ MARK3 P27448 2/20 0.64
▸ AXL P30530 2/20 0.64
▸ CSNK1A1 P48729 2/20 0.64

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
SCHEMBL15705839 1.00 SRC (0.64) SRCRETLCKKDRJAK2
SCHEMBL17106342 1.00 SRC (0.64) SRCRETLCKKDRJAK2
SCHEMBL12253480 0.91 JAK2 (0.66) SRCRETLCKKDRJAK2
SCHEMBL15648870 0.90 SRC (0.65) SRCRETLCKKDRJAK2
SCHEMBL15705842 0.86 SRC (0.57) SRCRETLCKKDRJAK2
SCHEMBL22835195 0.86 SRC (0.57) SRCRETLCKKDRJAK2
SCHEMBL29573937 0.86 SRC (0.57) SRCRETLCKKDRJAK2
SCHEMBL23847532 0.85 LCK (0.67) SRCRETLCKKDRJAK2
SCHEMBL760441 0.85 LCK (0.67) SRCRETLCKKDRJAK2
SCHEMBL2960034 0.85 LCK (0.67) SRCRETLCKKDRJAK2

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 SRC 322/4885RET 550/4885LCK 401/4885
US-20150274738-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 SRC 322/4885RET 550/4885LCK 401/4885
US-20180093990-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 SRC 322/4885RET 550/4885LCK 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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