SCHEMBL2839015

SCHEMBL2839015

COC(=O)c1cc(-c2cnc(-c3ccccc3)nc2)n[nH]1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.77
HPGDS O60760 4/20 0.72
MAPT P10636 6/20 0.61
ALPL P05186 6/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
RAB9A P51151 3/20 0.59
POLB P06746 2/20 0.59
NPC1 O15118 2/20 0.58
LMNA P02545 1/20 0.58
CHEK1 O14757 1/20 0.55
RET P07949 1/20 0.55
PDGFRB P09619 1/20 0.55
PIM1 P11309 1/20 0.55
PDGFRA P16234 1/20 0.55
GSK3B P49841 1/20 0.55
RPS6KA3 P51812 1/20 0.55
LIMK1 P53667 1/20 0.55
CDK5 Q00535 1/20 0.55
TYRO3 Q06418 1/20 0.55
MAPK14 Q16539 1/20 0.55

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
SCHEMBL646099 0.87 GAA (1.00) GAAHPGDSMAPTALPLSMN1; SMN2
SCHEMBL2838868 0.86 HPGDS (0.73) GAAHPGDSMAPTALPLSMN1; SMN2
Hydrochloric Acid SCHEMBL1314014 0.86 GAA (0.97) GAAHPGDSMAPTALPLSMN1; SMN2
SCHEMBL2838112 0.85 TP53 (0.73) GAAHPGDSALPLSMN1; SMN2CHEK1
SCHEMBL2837590 0.84 HPGDS (1.00) GAAHPGDSMAPTALPLSMN1; SMN2
SCHEMBL2837473 0.76 HPGDS (0.74) HPGDSALPLPOLB
SCHEMBL644698 0.76 GAA (0.72) GAAHPGDSMAPTALPLSMN1; SMN2
SCHEMBL644902 0.76 MAPT (0.72) GAAHPGDSMAPTALPLSMN1; SMN2
SCHEMBL13539290 0.76 ALPL (1.00) GAAHPGDSMAPTALPLSMN1; SMN2
SCHEMBL2842102 0.75 HPGDS (0.62) GAAHPGDSMAPTALPLSMN1; SMN2

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 GAA 1585/4885HPGDS 1/4885MAPT 4699/4885
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES GAA 1585/4885HPGDS 1/4885MAPT 4699/4885
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES GAA 1585/4885HPGDS 1/4885MAPT 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.