SCHEMBL2840674

SCHEMBL2840674

Fc1ccccc1Cc1nc(-c2ccc(-c3ccccc3)nc2)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
BRS3 P32247 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGDS O60760 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ELOVL1 Q9BW60 1/20 0.36
LDHA P00338 1/20 0.35
PTGES O14684 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35

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
SCHEMBL2835704 0.86 HPGDS (0.40) LMNABRS3HPGDS
SCHEMBL2838089 0.83 CYP11B1 (0.46) HPGDSCYP11B1CYP11B2LDHABAZ2B
SCHEMBL2843569 0.82 CYP11B1 (0.45) BRS3HPGDSCYP11B1CYP11B2
SCHEMBL2840946 0.81 CYP11B1 (0.46) BRS3HPGDSCYP11B1CYP11B2MGAM
SCHEMBL2835441 0.80 HPGDS (0.43) LMNAMEN1KMT2AHPGDS
SCHEMBL2842104 0.79 ASIC3 (0.44) LMNAHPGDSCYP11B1CYP11B2LDHA
SCHEMBL2839739 0.79 CYP11B1 (0.58) HPGDSCYP11B1CYP11B2
SCHEMBL2843756 0.77 CYP11B1 (0.61) HPGDSCYP11B1CYP11B2GAA
SCHEMBL2838978 0.76 HPGDS (0.44) HPGDSLDHA
SCHEMBL2834773 0.75 HPGDS (0.40) LMNABRS3HPGDSHIF1A

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 LMNA 2162/4885BRS3 1749/4885MEN1 4458/4885
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES LMNA 2162/4885BRS3 1749/4885MEN1 4458/4885
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES LMNA 2162/4885BRS3 1749/4885MEN1 4458/4885

“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.