SCHEMBL19385334

SCHEMBL19385334

Nc1ncnc2[nH]nc(-c3ccccc3Oc3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.47
TEK Q02763 5/20 0.47
PIK3CD O00329 6/20 0.47
PIK3CA P42336 6/20 0.47
PIK3CB P42338 6/20 0.47
PIK3CG P48736 6/20 0.47
PRKDC P78527 6/20 0.47
NUDT14 O95848 2/20 0.47
NUDT5 Q9UKK9 2/20 0.47
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
BTK Q06187 1/20 0.39
MAOA P21397 1/20 0.39
SRC P12931 5/20 0.38
KDR P35968 3/20 0.38
FYN P06241 1/20 0.38
BRD4 O60885 1/20 0.38
MAP4K4 O95819 1/20 0.37

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
SCHEMBL200349 0.81 NUDT14 (0.62) LCKTEKPIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL29439185 0.80 NUDT14 (0.61) LCKTEKPIK3CDPIK3CAPIK3CB
SCHEMBL29611096 0.79 PIK3CD (0.48) LCKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15519110 0.79 PIK3CD (0.48) LCKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22692856 0.78 ERBB2 (0.50) LCKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17626717 0.78 PIK3CD (0.47) LCKTEKPIK3CDPIK3CAPIK3CB
SCHEMBL30387716 0.78 PIK3CD (0.65) LCKTEKPIK3CDPIK3CAPIK3CB
SCHEMBL30415900 0.78 FYN (0.47) LCKTEKPIK3CDPIK3CAPIK3CB
SCHEMBL22692848 0.78 FYN (0.47) LCKTEKPIK3CDPIK3CAPIK3CB
SCHEMBL13064025 0.77 PIK3CD (0.53) LCKTEKPIK3CDPIK3CAPIK3CB

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-20170327504-A1 Synthesis of Substituted 1H-Pyrazolo[3,4-D]Pyrimidines SANDOZ AG (CH) 2017-11-16 US disclosed
US-20170327504-A1 Synthesis of Substituted 1H-Pyrazolo[3,4-D]Pyrimidines SANDOZ AG (CH) 2017-11-16 US disclosed
WO-2017163257-A1 PROCESS FOR PREPARING PURE LH-PYRAZOLO[3,4-D] PYRIMIDINE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2017-09-28 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 (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-20170327504-A1 Synthesis of Substituted 1H-Pyrazolo[3,4-D]Pyrimidines BTK, ABL1, SYK LCK 10/4885TEK 868/4885PIK3CD 36/4885

“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.