SCHEMBL19733390

SCHEMBL19733390

CC(C)n1cc(C(C)(C)C)c2c(C(C)(C)C)ncnc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 10/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ KDR P35968 9/20 0.35
▸ LCK P06239 6/20 0.35
▸ TEK Q02763 5/20 0.35
▸ SRC P12931 3/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PI4K2B Q8TCG2 1/20 0.35
▸ PI4K2A Q9BTU6 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ FLT3 P36888 1/20 0.33
▸ PDPK1 O15530 1/20 0.32

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
SCHEMBL14336580 0.83 RET (0.49) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL408665 0.77 SRC (0.41) RETKDRLCKTEKSRC
SCHEMBL14330941 0.74 ADORA2A (0.35) RETADORA2AADORA1PI4KAPI4K2B
SCHEMBL25968342 0.73 NFATC1 (0.31) RET
SCHEMBL29321147 0.72 PIK3CD (0.34) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12775439 0.70 ADORA2A (0.60) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL15101792 0.67 SRC (0.39) RETKDRLCKTEKSRC
SCHEMBL25535104 0.66 ATM (0.32) SRCADORA2AADORA1FLT3
SCHEMBL25057481 0.66 PIK3CD (0.39) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL26253554 0.66 PDE4A (0.39) RETKDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2018-07-12 — — US disclosed
US-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-12-21 — — 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 (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-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 RET 333/4885PIK3CD 810/4885PIK3CA 669/4885
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN RET 166/4885PIK3CD 357/4885PIK3CA 203/4885

“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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