SCHEMBL3605906

SCHEMBL3605906

CN1CCC(NCCN2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.53
SIGMAR1 Q99720 1/20 0.49
CARM1 Q86X55 4/20 0.48
PRMT6 Q96LA8 4/20 0.48
PRMT8 Q9NR22 2/20 0.48
DPP7 Q9UHL4 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MITF O75030 1/20 0.40
VCP P55072 2/20 0.39
PRMT1 Q99873 1/20 0.38
CYP2C9 P11712 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP1A2 P05177 1/20 0.36
BCHE P06276 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 SCHEMBL3598388 0.98 RAD52 (0.51) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL25568889 0.90 RAD52 (0.50) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL24333102 0.89 RAD52 (0.59) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL12838201 0.87 RAD52 (0.60) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL4281737 0.85 RAD52 (0.63) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL24204664 0.85 MEN1 (0.47) RAD52CARM1PRMT6DPP7MEN1
SCHEMBL3446318 0.83 RAD52 (0.72) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL19953758 0.83 RAD52 (0.52) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL21549043 0.82 RAD52 (0.66) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL20402780 0.81 RAD52 (0.50) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035907-A1 NEW 2,4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
EP-2104673-A2 NEW 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-09-30 EP disclosed
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
WO-2008099072-A2 NEW 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2008-08-21 WO 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 (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-20100035907-A1 NEW 2,4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS IKBKB, CDK2, IKBKE RAD52 1580/4885SIGMAR1 4395/4885CARM1 2125/4885
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.