SCHEMBL19335161

SCHEMBL19335161

Nc1ncnc2c1c(-c1ccccc1)nn2C1CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.72
LCK P06239 5/20 0.72
LYN P07948 2/20 0.72
PIK3CD O00329 8/20 0.67
PIK3CA P42336 8/20 0.67
PIK3CB P42338 8/20 0.67
PIK3CG P48736 8/20 0.67
PRKDC P78527 8/20 0.67
NUDT14 O95848 1/20 0.67
NUDT5 Q9UKK9 1/20 0.67
SRC P12931 14/20 0.65
KDR P35968 9/20 0.65
TEK Q02763 3/20 0.65
EGFR P00533 11/20 0.63
ABL1 P00519 9/20 0.63
HCK P08631 8/20 0.63
MTOR P42345 7/20 0.63
EPHB4 P54760 7/20 0.63
PI4KB Q9UBF8 4/20 0.60
ERBB2 P04626 1/20 0.58

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
SCHEMBL19335162 0.95 BTK (0.80) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL19335163 0.95 BTK (0.77) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL22364031 0.94 BTK (0.65) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL2360644 0.93 BTK (0.79) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL19335172 0.93 BTK (0.79) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL19335138 0.93 BTK (0.79) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL22364036 0.93 BTK (0.79) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL22364011 0.89 BTK (0.60) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL23997146 0.89 BTK (0.65) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL2631407 0.85 BTK (0.84) BTKLCKLYNNUDT14NUDT5

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-RE48175-E1 Hydrophobically tagged small molecules as inducers of protein degradation DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-08-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20180093990-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 BTK 2764/4885LCK 401/4885LYN 638/4885

“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.