Sugi Predict

Sugi Predict / Compounds / SCHEMBL4719835

SCHEMBL4719835

SCHEMBL4719835

CCOC(=O)c1cc(-c2ccnc(-c3cnc4ccccc4c3)c2)nn1CCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 2/20 0.55
▸ ADORA3 P0DMS8 2/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ FOS P01100 1/20 0.39
▸ JUN P05412 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ FAAH O00519 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ ACACB O00763 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
SCHEMBL4713365 0.95 MAPKAPK2 (0.54) MAPKAPK2ADORA3ADORA2ASMN1; SMN2POLB
SCHEMBL27620292 0.91 MAPKAPK2 (0.68) MAPKAPK2ADORA3ADORA2ABRD4ACACB
SCHEMBL14188316 0.84 MAPKAPK2 (0.77) MAPKAPK2SMN1; SMN2POLBTDP1FOS
Hydrochloric Acid SCHEMBL4716302 0.84 MAPKAPK2 (0.75) MAPKAPK2SMN1; SMN2POLBTDP1FOS
SCHEMBL4716369 0.83 SMN1; SMN2 (0.44) ADORA3ADORA2ASMN1; SMN2POLBTDP1
SCHEMBL14188398 0.83 MAPKAPK2 (0.69) MAPKAPK2SMN1; SMN2POLBTDP1FOS
SCHEMBL4712694 0.83 SMN1; SMN2 (0.45) ADORA3ADORA2ASMN1; SMN2POLBTDP1
Hydrochloric Acid SCHEMBL4713502 0.82 MAPKAPK2 (0.68) MAPKAPK2SMN1; SMN2POLBTDP1FOS
SCHEMBL4760588 0.82 SMN1; SMN2 (0.47) ADORA3ADORA2ASMN1; SMN2POLBTDP1
SCHEMBL20141716 0.81 SMN1; SMN2 (0.60) SMN1; SMN2POLBTDP1MAPTALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 — — US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 — — US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 — — US disclosed
EP-1572682-A4 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORP (US) 2008-01-23 — — EP disclosed
EP-1572682-A2 ACYCLIC PYRAZOLE COMPOUNDS Pharmacia Corporation (US) 2005-09-14 — — EP disclosed
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-08-05 — — US disclosed
WO-2004058176-A2 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 — — 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 (2 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 MAPKAPK2 2/4885ADORA3 3392/4885ADORA2A 1887/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 MAPKAPK2 1/4885ADORA3 2970/4885ADORA2A 1307/4885

“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.