SCHEMBL3285126

SCHEMBL3285126

O=c1[nH]nc(Br)c(=O)n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 7/20 0.50
HPGD P15428 6/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 4/20 0.43
LMNA P02545 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
POLB P06746 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
RGS12 O14924 1/20 0.41
USP2 O75604 1/20 0.41
PNP P00491 1/20 0.41

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
SCHEMBL3586416 0.86 LMNA (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL25271993 0.83 GSK3A (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL1781279 0.81 ALDH1A1 (0.53) ALDH1A1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL7834131 0.81 HPGD (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL8544715 0.78 GSK3A (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL12692930 0.77 KDM4E (0.66) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL6502344 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL9354106 0.75 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL11967273 0.73 TLR7 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL3574450 0.72 NOTUM (0.41) ALDH1A1KDM4ESMN1; SMN2POLBCYP3A4

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-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 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-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy CBR3, NOX3, RTN3 ALDH1A1 2991/4885KDM4E 3738/4885HPGD 2997/4885

“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.