Sugi Predict

Sugi Predict / Compounds / SCHEMBL3606296

SCHEMBL3606296

SCHEMBL3606296

CC(=O)Nc1ccc(-c2cc(-c3cc(C#N)c(N4CCNCC4)[nH]3)ccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.44
▸ CDK9 P50750 2/20 0.44
▸ CDC7 O00311 1/20 0.44
▸ IKBKB O14920 1/20 0.43
▸ CHUK O15111 1/20 0.43
▸ ROS1 P08922 1/20 0.41
▸ CCNC P24863 2/20 0.40
▸ CDK8 P49336 2/20 0.40
▸ MAPKAPK2 P49137 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PRNP P04156 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ JAK2 O60674 4/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ BMPR1A P36894 1/20 0.38

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
SCHEMBL3622484 0.90 TTK (0.41) PIM1CDK9CDC7KDM4EUSP30
SCHEMBL3620099 0.86 IKBKB (0.44) IKBKBCHUKCCNCCDK8MAPKAPK2
SCHEMBL3610685 0.85 KIT (0.42) ROS1MEN1KMT2ASMN1; SMN2
SCHEMBL13408112 0.83 MAPKAPK2 (0.42) PIM1CDK9CDC7CDK8MAPKAPK2
SCHEMBL13408105 0.82 PIM1 (0.44) PIM1CDK9CDC7IKBKBCHUK
SCHEMBL3614980 0.82 PIM1 (0.45) PIM1CDK9CDC7MAPKAPK2KDM4E
SCHEMBL3616126 0.82 PIM1 (0.44) PIM1CDK9CDC7CCNCCDK8
SCHEMBL13408119 0.82 CCNC (0.46) PIM1CDK9CDC7CCNCCDK8
SCHEMBL3616121 0.82 PIM1 (0.44) PIM1CDK9CDC7CCNCCDK8
SCHEMBL13408127 0.81 ALDH1A1 (0.43) PIM1CDK9CDC7MAPKAPK2KDM4E

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 9 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
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 — — US disclosed
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
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 837/4885CDK9 1238/4885CDC7 4089/4885

“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.