SCHEMBL14587793

SCHEMBL14587793

N#Cc1cccc(-c2nc3c(Cl)cccc3[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 1/20 0.56
▸ MGAM O43451 4/20 0.50
▸ GAA P10253 4/20 0.50
▸ SI P14410 4/20 0.50
▸ MGAM2 Q2M2H8 4/20 0.50
▸ JAK2 O60674 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ PARP1 P09874 4/20 0.48
▸ PIN1 Q13526 1/20 0.48
▸ RHEB Q15382 1/20 0.47
▸ SSTR5 P35346 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ GSK3B P49841 1/20 0.42
▸ XDH P47989 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ TYMP P19971 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
SCHEMBL8818788 0.82 PIN1 (0.50) MGAMGAASIMGAM2PARP1
SCHEMBL27961298 0.79 ADORA1 (0.57) PSMB8MGAMGAASIMGAM2
SCHEMBL4715207 0.78 GAA (0.54) PSMB8MGAMGAASIMGAM2
SCHEMBL3338846 0.78 KDM4E (0.61) GAAPIN1
SCHEMBL1170768 0.77 ADORA1 (0.61) PSMB8MGAMGAASIMGAM2
SCHEMBL14587779 0.75 MGAM (0.50) PSMB8MGAMGAASIMGAM2
SCHEMBL20982453 0.74 RHEB (0.52) GAAPIN1RHEBGSK3BXDH
SCHEMBL4717701 0.73 MGAM (0.48) PSMB8MGAMGAASIMGAM2
SCHEMBL4714942 0.73 PARP1 (0.52) MGAMGAASIMGAM2PARP1
SCHEMBL19643484 0.72 PKN1 (0.61) MGAMGAASIMGAM2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 — — US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 — — 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 PSMB8 3058/4885MGAM 4641/4885GAA 3511/4885

“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.

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