Sugi Predict

Sugi Predict / Compounds / SCHEMBL3603530

SCHEMBL3603530

SCHEMBL3603530

Cc1cnc(Nc2cccc(Cl)c2)nc1-c1ccnc(NCCCN)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 2/20 0.62
▸ CDK1 P06493 5/20 0.58
▸ CDK2 P24941 3/20 0.58
▸ CDK4 P11802 2/20 0.58
▸ CCNB1 P14635 2/20 0.58
▸ CCNA2 P20248 2/20 0.58
▸ CCND1 P24385 2/20 0.58
▸ CDK7 P50613 2/20 0.58
▸ CCNH P51946 2/20 0.58
▸ CDK5 Q00535 2/20 0.58
▸ CDK5R1 Q15078 2/20 0.58
▸ MTOR P42345 2/20 0.58
▸ SMG1 Q96Q15 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ CCNT1 O60563 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ XBP1 P17861 1/20 0.58
▸ CCNE1 P24864 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HTT P42858 1/20 0.58

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
SCHEMBL3610608 0.87 CDK1 (0.56) CSNK2A1CDK1CDK2CDK4CCNB1
SCHEMBL3608083 0.82 CSNK2A1 (0.69) CSNK2A1CDK1CDK2CDK4CCNB1
SCHEMBL3608729 0.81 CSNK2A1 (0.62) CSNK2A1CDK1CDK2CDK4CCNB1
SCHEMBL3608844 0.81 STK17A (0.56) STK17ASTK17B
SCHEMBL3600554 0.80 CSNK2A1 (0.69) CSNK2A1CDK1CDK2CDK4CCNB1
SCHEMBL7817083 0.77 CDK1 (0.91) CSNK2A1CDK1CDK2CDK4CCNB1
SCHEMBL6107651 0.77 CSNK2A1 (1.00) CSNK2A1CDK1CDK2CDK4CCNB1
SCHEMBL7813759 0.77 CDK1 (0.85) CSNK2A1CDK1CDK2CDK4CCNB1
SCHEMBL7813365 0.76 CDK1 (0.78) CSNK2A1CDK1CDK2CDK4CCNB1
SCHEMBL13503000 0.76 CSNK2A1 (0.48) CSNK2A1CDK1CDK2CDK4CCNB1

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-20100056567-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS PETERS DAN 2010-03-04 — — US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 — — US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 — — US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 — — US disclosed
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2007-10-04 — — US disclosed
EP-1761518-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 — — EP disclosed
WO-2005123715-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2005-12-29 — — 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 (3 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CSNK2A1 4549/4885CDK1 3769/4885CDK2 3078/4885
US-20100056567-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 CSNK2A1 4539/4885CDK1 2520/4885CDK2 3165/4885
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 CSNK2A1 4539/4885CDK1 2520/4885CDK2 3165/4885

“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.