SCHEMBL2837461

SCHEMBL2837461

Cn1cncc1-c1cccc(-c2ncccn2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.62
HPGDS O60760 1/20 0.62
DYRK1A Q13627 7/20 0.47
CLK4 Q9HAZ1 2/20 0.47
LDLR P01130 1/20 0.47
PCSK9 Q8NBP7 1/20 0.47
CYP2A6 P11509 1/20 0.42
PRKDC P78527 1/20 0.41
KCNH2 Q12809 1/20 0.40
GSK3B P49841 6/20 0.40
WNT1 P04628 3/20 0.40
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
KDR P35968 2/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
FGFR3 P22607 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 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
SCHEMBL21128683 0.81 IDO1 (0.68) IDO1HPGDSDYRK1ALDLRPCSK9
SCHEMBL17308284 0.78 IDO1 (0.68) IDO1HPGDSDYRK1ALDLRPCSK9
SCHEMBL7128025 0.77 IDO1 (0.66) IDO1HPGDSDYRK1ALDLRPCSK9
SCHEMBL2315186 0.77 HPGDS (1.00) IDO1HPGDSLDLRPCSK9BRD9
SCHEMBL30473398 0.77 IDO1 (0.66) IDO1HPGDSDYRK1ALDLRPCSK9
SCHEMBL23119634 0.77 IDO1 (0.66) IDO1HPGDSLDLRPCSK9PRKDC
SCHEMBL23539669 0.77 IDO1 (1.00) IDO1HPGDSDYRK1ALDLRPCSK9
SCHEMBL1501843 0.77 IDO1 (0.66) IDO1HPGDSDYRK1ALDLRPCSK9
SCHEMBL30042691 0.77 IDO1 (1.00) IDO1HPGDSDYRK1ALDLRPCSK9
SCHEMBL28035340 0.75 IDO1 (0.64) IDO1HPGDSDYRK1ACLK4GSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 IDO1 970/4885HPGDS 1/4885DYRK1A 3659/4885

“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.