SCHEMBL14801795

SCHEMBL14801795

CNC(=O)N1CCC[C@@H](c2nc(-c3cnc(-c4ccccc4)nc3)c[nH]2)C1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.69
MAP3K12 Q12852 2/20 0.43
AXL P30530 1/20 0.43
HSD11B1 P28845 7/20 0.42
HTR2B P41595 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2833202 1.00 HPGDS (0.69) HPGDSMAP3K12AXLHSD11B1HTR2B
SCHEMBL2833205 1.00 HPGDS (0.69) HPGDSMAP3K12AXLHSD11B1HTR2B
SCHEMBL2840725 0.95 HPGDS (0.62) HPGDSMAP3K12AXLHTR2BSMN1; SMN2
SCHEMBL2835679 0.95 HPGDS (0.62) HPGDSMAP3K12AXLHTR2BSMN1; SMN2
SCHEMBL2835683 0.95 HPGDS (0.62) HPGDSMAP3K12AXLHTR2BSMN1; SMN2
SCHEMBL2837379 0.90 HPGDS (0.55) HPGDSMAP3K12HSD11B1CYP1A2CYP3A4
SCHEMBL2840139 0.90 HPGDS (0.55) HPGDSMAP3K12HSD11B1CYP1A2CYP3A4
SCHEMBL2837375 0.90 HPGDS (0.55) HPGDSMAP3K12HSD11B1CYP1A2CYP3A4
SCHEMBL2840223 0.89 HPGDS (0.56) HPGDSMAP3K12HTR2B
SCHEMBL2316939 0.89 HPGDS (0.54) HPGDSMAP3K12HSD11B1HTR2B

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES HPGDS 1/4885MAP3K12 591/4885AXL 4785/4885
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES HPGDS 1/4885MAP3K12 591/4885AXL 4785/4885

“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.