SCHEMBL2838148

SCHEMBL2838148

O=C(O)N1CCC(c2nc(-c3cnc(Oc4ccccc4)nc3)c[nH]2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.44
EGFR P00533 3/20 0.44
HPGDS O60760 5/20 0.44
BMX P51813 1/20 0.40
ITK Q08881 1/20 0.40
HSD11B1 P28845 2/20 0.39
MAP3K12 Q12852 1/20 0.39
ROCK2 O75116 1/20 0.38
TRPC6 Q9Y210 1/20 0.37
KDM5A P29375 1/20 0.37

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
SCHEMBL2842089 0.89 HPGDS (0.47) BTKEGFRHPGDSHSD11B1MAP3K12
SCHEMBL2318562 0.85 HPGDS (0.51) HPGDSHSD11B1MAP3K12KDM5A
SCHEMBL2842366 0.85 HPGDS (0.44) BTKEGFRHPGDSHSD11B1TRPC6
SCHEMBL2843317 0.84 HTR2B (0.43) HPGDSMAP3K12KDM5A
SCHEMBL2843000 0.79 HPGDS (0.48) HPGDSROCK2
SCHEMBL2834834 0.79 MMP2 (0.39) BTKEGFRHPGDS
SCHEMBL2837572 0.78 GRM5 (0.44) HPGDSMAP3K12
SCHEMBL2837432 0.77 HPGDS (0.42) BTKEGFRHPGDSMAP3K12
SCHEMBL6165806 0.76 HSD11B1 (0.42) BTKHPGDSHSD11B1
SCHEMBL2838842 0.76 HPGDS (0.54) HPGDSMAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350059-B1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEM CO (US) 2016-03-23 EP disclosed
US-9126973-B2 Multiheteroaryl compounds as inhibitors of H-PGDS and their use for treating prostaglandin D2 mediated diseases CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2015-09-08 US disclosed
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY, INCORPORATED 2015-04-09 US disclosed
US-8536185-B2 Multiheteroaryl compounds as inhibitors of H-PGDS and their use for treating prostaglandin D2 mediated diseases CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-09-17 US disclosed
US-8450326-B2 2013-05-28 US disclosed
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-03-28 US disclosed
US-20100075990-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY (US) 2010-03-25 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-20100075990-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES BTK 3166/4885EGFR 4402/4885HPGDS 1/4885
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES BTK 3166/4885EGFR 4402/4885HPGDS 1/4885
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES BTK 3166/4885EGFR 4402/4885HPGDS 1/4885

“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.