Sugi Predict

Sugi Predict / Compounds / SCHEMBL3619288

SCHEMBL3619288

SCHEMBL3619288

N#Cc1cc(-c2ccnc(C=Cc3ccncc3)c2)[nH]c1N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.45
▸ CDC7 O00311 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ MAPKAPK2 P49137 11/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ AURKA O14965 2/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ LCK P06239 2/20 0.40
▸ MET P08581 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ MAPK8 P45983 2/20 0.40
▸ MAPK9 P45984 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ MAPKAPK5 Q8IW41 2/20 0.40
▸ PRKD2 Q9BZL6 2/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ CHEK1 O14757 1/20 0.40

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
SCHEMBL3619284 1.00 PIM1 (0.45) PIM1CDC7CDK9MAPKAPK2ROCK2
SCHEMBL3616073 0.92 MAPKAPK2 (0.48) PIM1CDC7CDK9MAPKAPK2ROCK2
SCHEMBL3616075 0.92 MAPKAPK2 (0.48) PIM1CDC7CDK9MAPKAPK2ROCK2
Hydrochloric Acid SCHEMBL3617686 0.91 MAPKAPK2 (0.48) PIM1CDC7CDK9MAPKAPK2ROCK2
Hydrochloric Acid SCHEMBL3617689 0.91 MAPKAPK2 (0.48) PIM1CDC7CDK9MAPKAPK2ROCK2
SCHEMBL13408082 0.90 MAPKAPK2 (0.46) PIM1CDC7CDK9MAPKAPK2ROCK2
SCHEMBL3615775 0.89 PIM1 (0.45) PIM1CDC7CDK9MAPKAPK2ROCK2
SCHEMBL3615779 0.89 PIM1 (0.45) PIM1CDC7CDK9MAPKAPK2ROCK2
SCHEMBL3618751 0.88 PIM1 (0.47) PIM1CDC7CDK9MAPKAPK2ROCK2
SCHEMBL3618749 0.88 PIM1 (0.47) PIM1CDC7CDK9MAPKAPK2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 — — US claimed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 — — EP claimed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 — — WO claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 — — US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 — — EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 — — 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 PIM1 837/4885CDC7 4089/4885CDK9 1238/4885

“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.