SCHEMBL2360644

SCHEMBL2360644

Nc1ncnc2c1c(-c1ccccc1)nn2C1CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.79
LCK P06239 1/20 0.79
LYN P07948 1/20 0.79
PIK3CD O00329 14/20 0.73
PIK3CA P42336 14/20 0.73
PIK3CB P42338 14/20 0.73
PIK3CG P48736 14/20 0.73
PRKDC P78527 14/20 0.73
EGFR P00533 15/20 0.69
KDR P35968 13/20 0.69
ABL1 P00519 13/20 0.69
HCK P08631 13/20 0.69
SRC P12931 13/20 0.69
MTOR P42345 13/20 0.69
EPHB4 P54760 13/20 0.69
PI4KB Q9UBF8 7/20 0.66
RET P07949 2/20 0.64
NUDT14 O95848 1/20 0.63
NUDT5 Q9UKK9 1/20 0.63

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
SCHEMBL19335138 1.00 BTK (0.79) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL19335172 1.00 BTK (0.79) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL22364036 1.00 BTK (0.79) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL19335162 0.99 BTK (0.80) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL19335163 0.96 BTK (0.77) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL19335161 0.93 BTK (0.72) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL23997156 0.90 LCK (0.71) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL17713980 0.90 BTK (0.98) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL30586962 0.88 BTK (1.00) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL6431516 0.88 BTK (1.00) BTKLCKLYNPIK3CDPIK3CA

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 8 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
EP-2534151-B1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MERCK SHARP & DOHME (NL) 2018-11-14 EP 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-8658794-B2 8-methyl-1-phenyl-imidazol[1,5-a]pyrazine compounds as Lck inhibitors and uses thereof MERCK SHARP & DOHME B.V. (NL) 2014-02-25 US disclosed
EP-2534151-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MSD Oss B.V. (NL) 2012-12-19 EP disclosed
US-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2012-12-06 US disclosed
WO-2011095556-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2011-08-11 WO 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-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS LCK, ZAP70, FYN BTK 29/4885LCK 1/4885LYN 11/4885
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.