SCHEMBL2840871

SCHEMBL2840871

CN1CCN(C(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)n[nH]2)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.63
TACR3 P29371 7/20 0.59
ALPL P05186 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TACR2 P21452 1/20 0.47
TACR1 P25103 1/20 0.47
MAP4K4 O95819 1/20 0.46
NAMPT P43490 2/20 0.46
NTRK1 P04629 1/20 0.45
HRH4 Q9H3N8 3/20 0.44

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
SCHEMBL2839452 0.90 TACR3 (0.61) HPGDSTACR3ALPLMEN1KMT2A
SCHEMBL2837473 0.89 HPGDS (0.74) HPGDSTACR3ALPLMEN1KMT2A
SCHEMBL2314178 0.81 HPGDS (0.70) HPGDSTACR3ALPLMEN1KMT2A
SCHEMBL2834191 0.80 HPGDS (0.70) HPGDSTACR3ALPLMEN1KMT2A
SCHEMBL2311886 0.77 HPGDS (1.00) HPGDSTACR3ALPLMEN1KMT2A
SCHEMBL2838153 0.77 HPGDS (0.66) HPGDSTACR3ALPLMEN1KMT2A
SCHEMBL2842102 0.75 HPGDS (0.62) HPGDSALPLKMT2A
SCHEMBL22415522 0.72 ALPL (0.56) HPGDSTACR3ALPLHRH4
SCHEMBL2867237 0.72 MAP4K1 (0.52) MEN1KMT2AMAP4K4NTRK1
SCHEMBL16709065 0.70 TACR3 (0.52) TACR3ALPLMEN1KMT2A

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 1/4885TACR3 4741/4885ALPL 3565/4885
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES HPGDS 1/4885TACR3 4741/4885ALPL 3565/4885
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES HPGDS 1/4885TACR3 4741/4885ALPL 3565/4885

“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.