SCHEMBL2833209

SCHEMBL2833209

Fc1cccc(-c2cc(-c3cnc(-c4ccccc4)nc3)n[nH]2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.78
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 3/20 0.56
ALOX15 P16050 3/20 0.56
NFKB1 P19838 3/20 0.56
NFKB2 Q00653 3/20 0.56
RELA Q04206 3/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 3/20 0.54
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 1/20 0.49
CASP1 P29466 1/20 0.49
CASP3 P42574 1/20 0.49
KMT2A Q03164 1/20 0.49
SENP8 Q96LD8 1/20 0.49

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
SCHEMBL2838459 0.88 HPGDS (1.00) HPGDSSMN1; SMN2ALOX15NFKB1NFKB2
SCHEMBL2837433 0.85 HPGDS (0.87) HPGDSSMN1; SMN2ALOX15NFKB1NFKB2
SCHEMBL8888496 0.85 RAB9A (0.70) HPGDSSMN1; SMN2MAPTALOX15NFKB1
SCHEMBL2837635 0.80 HPGDS (1.00) HPGDSSMN1; SMN2RAB9APOLB
SCHEMBL2316526 0.77 HPGDS (0.89) HPGDSRAB9APOLB
SCHEMBL20650912 0.77 ALOX15 (0.66) HPGDSSMN1; SMN2MAPTALOX15NFKB1
SCHEMBL17279809 0.76 RAB9A (0.84) HPGDSMAPTALOX15LMNATP53
SCHEMBL15425090 0.75 ALOX15 (0.64) HPGDSSMN1; SMN2MAPTALOX15NFKB1
SCHEMBL27619203 0.75 MAPT (0.59) HPGDSSMN1; SMN2MAPTALOX15NFKB1
SCHEMBL17279805 0.74 POLB (0.81) HPGDSSMN1; SMN2MAPTALOX15NFKB1

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 HPGDS 1/4885SMN1; SMN2 4443/4885MAPT 4699/4885
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES HPGDS 1/4885SMN1; SMN2 4443/4885MAPT 4699/4885
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES HPGDS 1/4885SMN1; SMN2 4443/4885MAPT 4699/4885

“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.