SCHEMBL2980091

SCHEMBL2980091

[CH2]NCC(C)(C)CN(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL680376 0.76 KMT2A (0.35) KMT2AKDM4ESIGMAR1
SCHEMBL10596223 0.74 KMT2A (0.34) KMT2AKDM4ESIGMAR1ALDH1A1GAA
SCHEMBL10101627 0.74 KMT2A (0.34) KMT2AKDM4ESIGMAR1ALDH1A1GAA
SCHEMBL6897806 0.74 KMT2A (0.34) KMT2AKDM4ESIGMAR1
SCHEMBL227850 0.73 CYP3A4 (0.34) CYP2D6CYP2C19
SCHEMBL4667733 0.72 TP53 (0.33) KMT2AKDM4ESIGMAR1ALDH1A1GAA
SCHEMBL9285442 0.72 KMT2A (0.33) KMT2AKDM4ESIGMAR1
SCHEMBL12703382 0.70 KMT2A (0.33) KMT2AKDM4ESIGMAR1
SCHEMBL27551060 0.69
SCHEMBL6718971 0.69

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 US claimed
EP-1163212-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-31 EP claimed
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 US claimed
US-6794380-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; ANTIALLERGENS ASTRAZENECA AB (SE) 2004-09-21 US claimed
EP-1163237-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2004-05-06 EP claimed
EP-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP claimed
US-20030186966-A1 Amide derivatives ASTRAZENECA AB 2003-10-02 US claimed
US-6548514-B1 Inhibitors of p38 kinase/cytokine suppressive binding protein (CSBP)/reactivating kinase (RK); 1-((pyridyl)aminocarbonyl)-3-((hetero)arylaminocarbonyl)benzene derivatives; treating cytokine related diseases and disorders ASTRAZENECA AB (SE) 2003-04-15 US claimed
JP-2002539187-A 2002-11-19 JP claimed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US claimed
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 EP claimed
EP-1163212-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP claimed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP claimed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP claimed
WO-2000055120-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO claimed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO claimed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 WO claimed
US-7772432-B2 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA AB (SE) 2010-08-10 US disclosed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 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 (2 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-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B KMT2A 2740/4885KDM4E 1496/4885SIGMAR1 226/4885
US-20030186966-A1 Amide derivatives IL6, IL6ST, IFNG KMT2A 2495/4885KDM4E 1166/4885SIGMAR1 331/4885

“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.