SCHEMBL2201485

SCHEMBL2201485

[CH2]CCN(C)CCN(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9388290 0.86 CA12 (0.47) KDM4EALDH1A1SIGMAR1CA12CA2
SCHEMBL9367964 0.83 CA12 (0.50) CA12CA2CA3CA4CA6
SCHEMBL61697 0.80
SCHEMBL8763670 0.80
SCHEMBL12510639 0.78 KDM4E (0.42) KDM4EALDH1A1SIGMAR1CA12CA2
SCHEMBL23451521 0.77
SCHEMBL6166961 0.77 KDM4E (0.45) KDM4EALDH1A1SIGMAR1CA12CA2
SCHEMBL2120853 0.77
SCHEMBL738626 0.77
SCHEMBL19733133 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US claimed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US claimed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US claimed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US claimed
WO-2007109596-A2 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2007-09-27 WO claimed
US-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US claimed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 US claimed
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 EP claimed
US-6956037-B2 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB (SE) 2005-10-18 US disclosed
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
US-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US disclosed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 US disclosed
US-6579872-B1 Such as TNF, in particular of TNF alpha, and various interleukins, in particular IL-1; N-(5-(4-(3-hydroxypropoxy)benzamido)-2-methylphenyl)-3,4-dimethoxybenzamide ASTRAZENECA AB (SE) 2003-06-17 US disclosed
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 EP disclosed
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 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-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PRKCB, PRKCA, PRKCG KDM4E 1349/4885ALDH1A1 3069/4885SIGMAR1 217/4885
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors REN, JAK2, ABL1 KDM4E 443/4885ALDH1A1 2295/4885SIGMAR1 2441/4885
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS REN, JAK2, ABL1 KDM4E 443/4885ALDH1A1 2295/4885SIGMAR1 2441/4885

“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.