Sugi Predict

Sugi Predict / Compounds / SCHEMBL607403

SCHEMBL607403

SCHEMBL607403

COC1CCC(N2CCC(Nc3cc(C)ccc3N)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 8/20 0.40
▸ PIK3CA P42336 1/20 0.37
▸ RIPK2 O43353 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ ATAD2 Q6PL18 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CHRM2 P08172 2/20 0.34
▸ CHRM4 P08173 2/20 0.34
▸ CHRM5 P08912 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ CHRM3 P20309 2/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ PDE7A Q13946 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
SCHEMBL607404 1.00 IRAK4 (0.40) IRAK4PIK3CARIPK2BRD4ATAD2
SCHEMBL607706 1.00 IRAK4 (0.40) IRAK4PIK3CARIPK2BRD4ATAD2
SCHEMBL606849 0.88 CHRM2 (0.37) IRAK4BRD4ATAD2CHRM2CHRM4
SCHEMBL605792 0.88 CHRM2 (0.37) IRAK4BRD4ATAD2CHRM2CHRM4
SCHEMBL605791 0.88 CHRM2 (0.37) IRAK4BRD4ATAD2CHRM2CHRM4
SCHEMBL607592 0.88 IRAK4 (0.37) IRAK4BRD4ATAD2KDM4ETP53
SCHEMBL606003 0.88 IRAK4 (0.37) IRAK4BRD4ATAD2KDM4ETP53
SCHEMBL607675 0.87 IRAK4 (0.37) IRAK4BRD4ATAD2TP53
SCHEMBL604066 0.87 IRAK4 (0.37) IRAK4BRD4ATAD2TP53
SCHEMBL604065 0.87 IRAK4 (0.37) IRAK4BRD4ATAD2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004182-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-08 — — EP disclosed
EP-2004182-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-08 — — EP disclosed
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-13 — — US disclosed
US-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 — — US disclosed
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-11-04 — — 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 (3 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-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 IRAK4 1088/4885PIK3CA 2881/4885RIPK2 3852/4885
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 IRAK4 1088/4885PIK3CA 2881/4885RIPK2 3852/4885
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 IRAK4 2652/4885PIK3CA 2918/4885RIPK2 3510/4885

“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.