SCHEMBL2840271

SCHEMBL2840271

Fc1cccc(Cc2nc(-c3cnc(-c4cccc(F)c4)nc3)c[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
HPGDS O60760 6/20 0.42
HRH3 Q9Y5N1 1/20 0.38
PIM1 P11309 1/20 0.38
MET P08581 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 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
SCHEMBL2840149 0.94 HPGDS (0.47) IDO1HPGDSHRH3PIM1MET
SCHEMBL2838171 0.94 HPGDS (0.46) IDO1HPGDSHRH3HTR2CHTR2B
SCHEMBL2839487 0.91 IDO1 (0.42) IDO1HPGDSPIM1METBCHE
SCHEMBL2838285 0.90 HPGDS (0.48) IDO1HPGDSHRH3PIM1BCHE
SCHEMBL2833352 0.89 CYP11B1 (0.50) IDO1HPGDSHRH3PIM1BCHE
SCHEMBL2835441 0.84 HPGDS (0.43) IDO1HPGDSPIM1BCHEACHE
SCHEMBL2837476 0.83 HPGDS (0.42) IDO1HPGDSHRH3PIM1BCHE
SCHEMBL2840946 0.83 CYP11B1 (0.46) HPGDSHRH3MGAMGAASI
SCHEMBL2838150 0.83 HPGDS (0.43) IDO1HPGDSBCHEACHEMGAM
SCHEMBL2318570 0.81 HPGDS (0.57) HPGDSHRH3

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 IDO1 970/4885HPGDS 1/4885HRH3 927/4885
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES IDO1 970/4885HPGDS 1/4885HRH3 927/4885
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES IDO1 970/4885HPGDS 1/4885HRH3 927/4885

“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.