SCHEMBL2840877

SCHEMBL2840877

Fc1ccc(C=Cc2nc(-c3cnc(-c4ccccc4)nc3)c[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.49
SENP8 Q96LD8 3/20 0.49
SENP7 Q9BQF6 3/20 0.49
SENP6 Q9GZR1 2/20 0.49
NFE2L2 Q16236 2/20 0.41
HPGDS O60760 6/20 0.41
MAPK1 P28482 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38

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
SCHEMBL2840874 1.00 CASP3 (0.49) CASP3SENP8SENP7SENP6NFE2L2
SCHEMBL2838478 0.91 HPGDS (0.48) CASP3SENP8SENP7SENP6HPGDS
SCHEMBL2838474 0.91 HPGDS (0.48) CASP3SENP8SENP7SENP6HPGDS
SCHEMBL2834578 0.88 NFE2L2 (0.47) NFE2L2HPGDSMAPK1TUBB4ATUBB
SCHEMBL2834579 0.88 NFE2L2 (0.47) NFE2L2HPGDSMAPK1TUBB4ATUBB
SCHEMBL2837366 0.86 HPGDS (0.47) CASP3SENP8SENP7SENP6HPGDS
SCHEMBL2837363 0.86 HPGDS (0.47) CASP3SENP8SENP7SENP6HPGDS
SCHEMBL2315437 0.82 NPC1 (0.41) NFE2L2HPGDSNPC1RAB9ASMN1; SMN2
SCHEMBL2837441 0.82 NPC1 (0.41) NFE2L2HPGDSNPC1RAB9ASMN1; SMN2
SCHEMBL2840866 0.81 HPGDS (0.63) CASP3SENP8SENP7SENP6HPGDS

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 CASP3 1652/4885SENP8 3744/4885SENP7 4500/4885
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES CASP3 1652/4885SENP8 3744/4885SENP7 4500/4885
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES CASP3 1652/4885SENP8 3744/4885SENP7 4500/4885

“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.