SCHEMBL4649100

SCHEMBL4649100

C1CCN(CCNC2CCSCC2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.51
SIGMAR1 Q99720 2/20 0.44
CARM1 Q86X55 3/20 0.42
PRMT6 Q96LA8 3/20 0.42
PRMT8 Q9NR22 2/20 0.42
VCP P55072 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
HRH3 Q9Y5N1 3/20 0.34
CYP2C9 P11712 1/20 0.34
PRMT1 Q99873 1/20 0.33
BCHE P06276 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
Hydrochloric Acid SCHEMBL4884203 0.98 RAD52 (0.50) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL12838201 0.86 RAD52 (0.60) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL4281737 0.84 RAD52 (0.63) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL3446318 0.82 RAD52 (0.72) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL3605906 0.78 RAD52 (0.53) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL3585953 0.77 RAD52 (0.51) RAD52SIGMAR1CARM1PRMT6PRMT8
Hydrochloric Acid SCHEMBL3598388 0.77 RAD52 (0.51) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL24333102 0.76 RAD52 (0.59) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL20402780 0.76 RAD52 (0.50) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL6973435 0.72 RAD52 (0.55) RAD52SIGMAR1CARM1PRMT6PRMT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
EP-1904479-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 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 (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-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE RAD52 1014/4885SIGMAR1 4101/4885CARM1 2507/4885

“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.