SCHEMBL2989963

SCHEMBL2989963

CC(=O)c1c[nH]c2nccc(OCC3CCCCC3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.48
ROCK1 Q13464 5/20 0.48
CDC42BPB Q9Y5S2 5/20 0.48
IRAK4 Q9NWZ3 6/20 0.44
CDC42BPA Q5VT25 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
SRC P12931 1/20 0.41
MAP3K7 O43318 1/20 0.40
TAB1 Q15750 1/20 0.40
MAPK8 P45983 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
CYP2D6 P10635 1/20 0.39
FAAH O00519 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
SCHEMBL2989659 0.80 CCNT1 (0.51) CCNA2CDK2CCNA1MAP3K7TAB1
SCHEMBL2994099 0.78 CCNT1 (0.53) CCNA2CDK2CCNA1MAP3K7TAB1
SCHEMBL2989355 0.77 CCNT1 (0.50) CCNA2CDK2CCNA1SRCMAP3K7
SCHEMBL2989444 0.72 CCNT1 (0.67) ROCK2ROCK1CDC42BPBIRAK4CDC42BPA
SCHEMBL14110689 0.70 IKBKB (0.55) IRAK4PARP15PARP10
SCHEMBL21665770 0.70 ROCK2 (0.57) ROCK2ROCK1CDC42BPBIRAK4CDC42BPA
SCHEMBL12146879 0.70 MAP3K7 (0.46) ROCK2ROCK1CDC42BPACDK1CDK2
SCHEMBL2997004 0.70 JAK3 (0.49) ROCK2ROCK1CDC42BPBIRAK4CDK1
SCHEMBL2994359 0.69 LMNA (0.41) IRAK4MAPK8FAAHCNR1CNR2
SCHEMBL30093755 0.69 MET (0.44) ROCK2MAP3K7TAB1

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-2125803-B1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2013-04-10 EP disclosed
US-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 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-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF BAD, PPOX, CASP3 ROCK2 605/4885ROCK1 1379/4885CDC42BPB 1235/4885

“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.