SCHEMBL2729630

SCHEMBL2729630

CC(=O)c1cnc2c(Cl)cccc2c1-c1ccn[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.40
NR1H2 P55055 7/20 0.39
NR1H3 Q13133 7/20 0.39
BDKRB2 P30411 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PARP1 P09874 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36

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
SCHEMBL2720744 0.80 HAVCR2 (0.50) HAVCR2NR1H2NR1H3
SCHEMBL2829190 0.78 HAVCR2 (0.55) HAVCR2NR1H2NR1H3CDK5
SCHEMBL2730616 0.77 NR4A2 (0.38) HAVCR2IRAK4NR1H2NR1H3BDKRB2
SCHEMBL2717720 0.76 HAVCR2 (0.57) HAVCR2NR1H2NR1H3AURKADAPK3
SCHEMBL28623357 0.68 HAVCR2 (0.51) HAVCR2
SCHEMBL11867822 0.67 HAVCR2 (0.70) HAVCR2NR1H2NR1H3AURKADAPK3
SCHEMBL4099377 0.67 PIK3CD (0.39) HAVCR2
Hydrochloric Acid SCHEMBL11869520 0.66 HAVCR2 (0.68) HAVCR2AURKADAPK3JAK2PRKD3
SCHEMBL4085141 0.66 HAVCR2 (0.43) HAVCR2NR1H2NR1H3AURKADAPK3
SCHEMBL2719529 0.66 RXFP1 (0.43) HPGDS

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-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 US disclosed
EP-2635565-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS Amgen Inc. (US) 2013-09-11 EP disclosed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 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-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 HAVCR2 1709/4885IRAK4 524/4885NR1H2 807/4885

“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.