Sugi Predict

Sugi Predict / Compounds / SCHEMBL4712835

SCHEMBL4712835

SCHEMBL4712835

O=C1NCCCn2nc(-c3ccnc(Cl)c3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 2/20 0.58
▸ GSK3B P49841 2/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.43
▸ HIPK2 Q9H2X6 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ PARP11 Q9NR21 1/20 0.43
▸ IDO1 P14902 1/20 0.40
▸ PRKCA P17252 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ PRKD1 Q15139 1/20 0.38
▸ PIK3C3 Q8NEB9 2/20 0.38
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL4717392 0.92 CDC7 (0.68) CDC7GSK3BROCK2MAP4K4CDK2
SCHEMBL5000027 0.82 CDC7 (0.83) CDC7GSK3BROCK2CDK2MAPKAPK2
SCHEMBL14188357 0.81 CDC7 (0.56) CDC7MAPKAPK2PIK3C3
SCHEMBL14188325 0.81 CDC7 (0.53) CDC7MAPKAPK2IRAK4PRKD1PIK3C3
SCHEMBL4716236 0.78 CDC7 (0.53) CDC7MAPKAPK2PIK3C3LMNASMN1; SMN2
SCHEMBL4715193 0.78 CDC7 (0.50) CDC7GSK3BMAPKAPK2PRKD1PIK3C3
SCHEMBL14188423 0.78 CDC7 (0.50) CDC7PRKD1PIK3C3SMN1; SMN2PIM1
SCHEMBL4715783 0.78 CDC7 (0.53) CDC7GSK3BMAPKAPK2LRRK2
SCHEMBL14188419 0.78 CDC7 (0.53) CDC7CLK4PIK3C3LMNASMN1; SMN2
SCHEMBL4716543 0.78 CDC7 (0.53) CDC7MAPKAPK2PIK3C3PIM1PIM2

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 CDC7 487/4885GSK3B 379/4885ROCK2 213/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 CDC7 331/4885GSK3B 512/4885ROCK2 244/4885

“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.