SCHEMBL376383

SCHEMBL376383

COc1ncc(Br)nc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.48
PIK3CD O00329 2/20 0.48
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
BTK Q06187 3/20 0.43
EGFR P00533 2/20 0.43
USP30 Q70CQ3 2/20 0.43
ITK Q08881 1/20 0.43
PBK Q96KB5 1/20 0.43
PARP1 P09874 1/20 0.42
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
IGF1R P08069 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL30841573 0.88 BTK (0.49) PIK3CAPIK3CDHDAC4HDAC6BTK
SCHEMBL15203442 0.87 EGFR (0.46) PIK3CAPIK3CDBTKEGFRITK
SCHEMBL26712642 0.86 PIK3CD (0.54) PIK3CAPIK3CDBTKUSP30IGF1R
SCHEMBL29361258 0.86 PIK3CD (0.54) PIK3CAPIK3CDBTKUSP30IGF1R
SCHEMBL29364345 0.86 PIK3CD (0.54) PIK3CAPIK3CDBTKUSP30IGF1R
SCHEMBL29005471 0.86 PIK3CD (0.54) PIK3CAPIK3CDBTKUSP30IGF1R
SCHEMBL26180095 0.86 PIM1 (0.48) PIK3CDHDAC4HDAC6BTKUSP30
SCHEMBL16928979 0.82 PIK3CA (0.48) PIK3CAPIK3CDHDAC4HDAC6USP30
SCHEMBL16928977 0.82 PIK3CA (0.48) PIK3CAPIK3CDHDAC4HDAC6USP30
SCHEMBL29005783 0.81 PIK3CD (0.51) PIK3CAPIK3CDBTKUSP30IGF1R

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
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 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 (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 PIK3CA 393/4885PIK3CD 394/4885HDAC4 1035/4885

“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.