SCHEMBL7128025

SCHEMBL7128025

Cn1cncc1-c1cccc(N)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.66
HPGDS O60760 1/20 0.53
MEN1 O00255 1/20 0.47
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
LDLR P01130 1/20 0.45
PCSK9 Q8NBP7 1/20 0.45
MAP4K4 O95819 5/20 0.44
MAOA P21397 1/20 0.42
DYRK3 O43781 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
CDK5 Q00535 1/20 0.42
DYRK1A Q13627 1/20 0.42
CDK5R1 Q15078 1/20 0.42
DYRK2 Q92630 1/20 0.42

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
SCHEMBL30473398 1.00 IDO1 (0.66) IDO1HPGDSMEN1PSIP1AXL
SCHEMBL21128683 0.81 IDO1 (0.68) IDO1HPGDSLDLRPCSK9DYRK1A
SCHEMBL17308284 0.81 IDO1 (0.68) IDO1HPGDSLDLRPCSK9DYRK1A
SCHEMBL23539669 0.79 IDO1 (1.00) IDO1HPGDSLDLRPCSK9DYRK3
SCHEMBL30042691 0.79 IDO1 (1.00) IDO1HPGDSLDLRPCSK9DYRK3
SCHEMBL23119634 0.79 IDO1 (0.66) IDO1HPGDSMEN1LDLRPCSK9
SCHEMBL1501843 0.79 IDO1 (0.66) IDO1HPGDSMKNK1LDLRPCSK9
SCHEMBL5779888 0.78 IDO1 (0.50) IDO1HPGDSLDLRPCSK9DYRK1A
SCHEMBL972964 0.77 HPGDS (0.73) IDO1HPGDSLDLRPCSK9BRD9
SCHEMBL21566691 0.77 IDO1 (0.62) IDO1HPGDSLDLRPCSK9DYRK1A

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
WO-2023101326-A1 NOVEL COMPOUND AS AUTOTAXIN INHIBITOR AND USE THEREOF 주식회사 넥스트젠바이오사이언스 2023-06-08 WO disclosed
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 IDO1 1301/4885HPGDS 1229/4885MEN1 244/4885

“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.