SCHEMBL376487

SCHEMBL376487

CC(C)(C)C1[C@H](Nc2cncc(-n3cnc4ccc(O)cc43)n2)CCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.44
JAK2 O60674 2/20 0.44
FYN P06241 2/20 0.41
FLT1 P17948 2/20 0.41
KDR P35968 2/20 0.41
BTK Q06187 2/20 0.41
STK16 O75716 1/20 0.41
SRC P12931 1/20 0.41
IRAK4 Q9NWZ3 4/20 0.35
AURKA O14965 2/20 0.34
AURKB Q96GD4 2/20 0.34
CHEK1 O14757 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL376743 0.90 IRAK4 (0.46) JAK3JAK2FYNFLT1KDR
SCHEMBL376654 0.88 JAK3 (0.41) JAK3JAK2FYNFLT1KDR
SCHEMBL1964412 0.82 JAK3 (0.38) JAK3JAK2FYNFLT1KDR
SCHEMBL376402 0.80 JAK3 (0.37) JAK3JAK2FYNFLT1KDR
SCHEMBL376432 0.79 JAK3 (0.35) JAK3JAK2FYNFLT1KDR
SCHEMBL15203453 0.78 JAK3 (0.43) JAK3JAK2FYNFLT1KDR
SCHEMBL376486 0.75 PIK3CD (0.44) JAK3JAK2FYNFLT1KDR
SCHEMBL376453 0.72 IRAK4 (0.52) JAK3JAK2FYNFLT1KDR
SCHEMBL384434 0.71 USP30 (0.33) JAK3JAK2BTKLCKIGF1R
SCHEMBL15203440 0.69 IRAK4 (0.53) JAK3JAK2FYNFLT1KDR

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
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

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 JAK3 1841/4885JAK2 1001/4885FYN 718/4885

“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.