SCHEMBL10691319

SCHEMBL10691319

Brc1cccc(-n2ccnn2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.48
NOTUM Q6P988 11/20 0.42
KEAP1 Q14145 1/20 0.42
ALOX5 P09917 2/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL24405876 0.78 MAP3K5 (0.48) MAP3K5NOTUMKEAP1NPC1MAPT
SCHEMBL3510845 0.78 NOTUM (0.50) MAP3K5NOTUMKEAP1ALOX5
SCHEMBL15091190 0.78 MAP3K5 (0.51) MAP3K5NOTUMKEAP1GRIN2DGRIN3B
SCHEMBL10685670 0.78 MAP3K5 (0.51) MAP3K5NOTUMKEAP1ALOX5NPC1
SCHEMBL10685640 0.77 NOTUM (0.51) MAP3K5NOTUMKEAP1ALOX5NPC1
SCHEMBL30261053 0.76 KDM4E (0.50) NOTUMALOX5GRIN2DGRIN3BGRIN1
SCHEMBL4289 0.76 KDM4E (0.50) NOTUMALOX5GRIN2DGRIN3BGRIN1
SCHEMBL10690502 0.74 MAP3K5 (0.45) MAP3K5NOTUMKEAP1NPC1MAPT
SCHEMBL28969422 0.74 MEN1 (0.48) MAP3K5NOTUMKEAP1RAB9ACYP19A1
SCHEMBL10694005 0.74 NOTUM (0.50) MAP3K5NOTUMKEAP1GRIN2B

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
US-4775762-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1988-10-04 US claimed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-4775762-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1988-10-04 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-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH MAP3K5 2251/4885NOTUM 4529/4885KEAP1 629/4885

“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.