SCHEMBL376486

SCHEMBL376486

CC(C)(C)OC(=O)N1CC[C@@H](Nc2cncc(-n3cnc4ccc(O)cc43)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.44
USP30 Q70CQ3 7/20 0.43
JAK3 P52333 2/20 0.43
JAK2 O60674 1/20 0.43
PIK3CA P42336 1/20 0.40
MET P08581 1/20 0.40
JAK1 P23458 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
IGF1R P08069 1/20 0.39
BTK Q06187 2/20 0.38
DYRK1A Q13627 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
STK16 O75716 1/20 0.38
FYN P06241 1/20 0.38
SRC P12931 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL376742 0.91 IRAK4 (0.49) PIK3CDUSP30JAK3JAK2PIK3CA
SCHEMBL376653 0.89 PIK3CD (0.42) PIK3CDUSP30JAK3JAK2PIK3CA
SCHEMBL15203453 0.87 JAK3 (0.43) JAK3JAK2METIRAK4IGF1R
SCHEMBL1964023 0.84 LCK (0.47) USP30IRAK4
SCHEMBL1964021 0.84 LCK (0.47) USP30IRAK4
SCHEMBL1964409 0.82 USP30 (0.38) PIK3CDUSP30JAK3JAK2IGF1R
SCHEMBL376401 0.82 PIK3CD (0.46) PIK3CDUSP30JAK3JAK2PIK3CA
SCHEMBL10239068 0.81 USP30 (0.38) PIK3CDUSP30JAK3JAK2IGF1R
SCHEMBL376431 0.80 PIK3CD (0.44) PIK3CDUSP30JAK3JAK2PIK3CA
SCHEMBL15203440 0.80 IRAK4 (0.53) JAK3JAK2IRAK4BTKSTK16

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
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 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-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB PIK3CD 394/4885USP30 3137/4885JAK3 1841/4885

“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.