Sugi Predict

Sugi Predict / Compounds / SCHEMBL3614980

SCHEMBL3614980

SCHEMBL3614980

CN(C)c1ccc(-c2cc(-c3cc(C#N)c(N4CCNCC4)[nH]3)ccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ MAPKAPK2 P49137 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ CDC42BPB Q9Y5S2 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ KIT P10721 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
SCHEMBL3614476 0.89 PIM1 (0.41) PIM1CDK9CDC7MAPKAPK2KDM4E
SCHEMBL14283328 0.85 KDM4E (0.42) PIM1CDK9CDC7MAPKAPK2KDM4E
SCHEMBL13408105 0.84 PIM1 (0.44) PIM1CDK9CDC7MAPKAPK2TBK1
SCHEMBL13408137 0.83 PIM1 (0.43) PIM1CDK9CDC7MAPKAPK2KDM4E
SCHEMBL3606296 0.82 PIM1 (0.44) PIM1CDK9CDC7MAPKAPK2KDM4E
SCHEMBL3611277 0.81 NR1H2 (0.45) KITTBK1
SCHEMBL13408198 0.81 CDK9 (0.47) PIM1CDK9CDC7MAPKAPK2KDM4E
SCHEMBL3620694 0.81 PIM1 (0.45) PIM1CDK9CDC7MAPKAPK2KDM4E
SCHEMBL3617276 0.81 PIM1 (0.45) PIM1CDK9CDC7MAPKAPK2KDM4E
SCHEMBL13408118 0.81 PRKD1 (0.44) 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 8 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

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.