SCHEMBL2834201

SCHEMBL2834201

CNC(=O)N1CCC(c2nc(-c3ccc(-c4ccccc4)nc3)c[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.46
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
HTR2B P41595 5/20 0.43
BAZ2B Q9UIF8 1/20 0.42
CDK9 P50750 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PIK3CA P42336 3/20 0.40
MTOR P42345 3/20 0.40
SSTR3 P32745 1/20 0.40
KCNH2 Q12809 1/20 0.40
JAK1 P23458 1/20 0.39
KDM5A P29375 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
SCHEMBL2840207 0.94 HPGDS (0.51) HPGDSACACBACACAHTR2BBAZ2B
SCHEMBL2837603 0.94 HPGDS (0.51) HPGDSACACBACACAHTR2BBAZ2B
SCHEMBL2837608 0.94 HPGDS (0.51) HPGDSACACBACACAHTR2BBAZ2B
SCHEMBL2840223 0.91 HPGDS (0.56) HPGDSACACBACACAHTR2BCDK9
SCHEMBL2842366 0.85 HPGDS (0.44) HPGDSACACBACACACDK9CYP4F2
SCHEMBL2835683 0.85 HPGDS (0.62) HPGDSACACBACACAHTR2BKDM5A
SCHEMBL2840725 0.85 HPGDS (0.62) HPGDSACACBACACAHTR2BKDM5A
SCHEMBL2835679 0.85 HPGDS (0.62) HPGDSACACBACACAHTR2BKDM5A
SCHEMBL2838129 0.84 MAP4K4 (0.47) HPGDSACACBACACACDK9
SCHEMBL2838265 0.84 MAP4K4 (0.47) HPGDSACACBACACACDK9

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 1/4885ACACB 797/4885ACACA 1097/4885
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES HPGDS 1/4885ACACB 797/4885ACACA 1097/4885
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES HPGDS 1/4885ACACB 797/4885ACACA 1097/4885

“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.