SCHEMBL2760423

SCHEMBL2760423

Cc1cc(-c2ccccc2)nnc1NCCCCCCCCCCCCNc1nnc(-c2ccccc2)cc1C

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.64
LMNA P02545 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CHRM1 P11229 1/20 0.61
CNR1 P21554 1/20 0.61
HTR2B P41595 1/20 0.61
KCNH2 Q12809 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
SLC2A1 P11166 1/20 0.44
BCHE P06276 1/20 0.43
SOAT2 O75908 1/20 0.43
SOAT1 P35610 1/20 0.43

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
SCHEMBL1752888 0.94 ACHE (0.58) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL1752857 0.92 ACHE (0.68) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL1752803 0.91 ACHE (0.58) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL10943732 0.90 ACHE (0.60) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL14387212 0.89 ACHE (0.56) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL1752945 0.86 ACHE (0.62) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL1752885 0.86 ACHE (0.62) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL1752986 0.86 ACHE (0.62) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL1752825 0.85 ACHE (0.61) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL10747649 0.84 ACHE (0.59) ACHELMNACYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 US disclosed
US-7888357-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2011-02-15 US disclosed
US-7888357-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2011-02-15 US disclosed
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 US 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-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death CASP2, CASP1, DAPK2 ACHE 3933/4885LMNA 980/4885CYP3A4 4740/4885

“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.