SCHEMBL376770

SCHEMBL376770

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cnc(C#N)c(Cl)n2)C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.58
JAK3 P52333 4/20 0.58
SYK P43405 1/20 0.47
PARP1 P09874 1/20 0.42
LCK P06239 2/20 0.42
EGFR P00533 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
USP30 Q70CQ3 4/20 0.42
PIK3CD O00329 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
ANO1 Q5XXA6 1/20 0.40
HPGDS O60760 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL18296204 1.00 BTK (0.58) BTKJAK3SYKPARP1LCK
SCHEMBL14964130 0.94 BTK (0.53) BTKJAK3SYKPARP1ALDH1A1
SCHEMBL18296107 0.94 BTK (0.53) BTKJAK3SYKPARP1ALDH1A1
SCHEMBL10238504 0.85 PARP1 (0.44) BTKJAK3PARP1USP30HDAC4
SCHEMBL15203527 0.85 JAK3 (0.48) BTKJAK3EGFREGLN2
SCHEMBL18283526 0.85 JAK3 (0.48) BTKJAK3EGFREGLN2
SCHEMBL18283701 0.85 JAK3 (0.48) BTKJAK3EGFREGLN2
SCHEMBL23292436 0.81 CCNK (0.54) BTKJAK3PARP1MEN1KMT2A
SCHEMBL22895690 0.81 CCNK (0.54) BTKJAK3PARP1MEN1KMT2A
SCHEMBL28546438 0.81 CCNK (0.54) BTKJAK3PARP1MEN1KMT2A

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
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO 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 BTK 554/4885JAK3 1841/4885SYK 1553/4885

“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.