SCHEMBL18869734

SCHEMBL18869734

CNCc1cn(CNC)nn1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 11/20 0.37
CYP19A1 P11511 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
ACHE P22303 1/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL15628432 0.84 GBA1 (0.40) GBA1CYP19A1KDM4ETP53
SCHEMBL19723359 0.82 GBA1 (0.36) GBA1CYP19A1KDM4ETP53ACHE
SCHEMBL16263165 0.79 GBA1 (0.35) GBA1CYP19A1KDM4ETP53
SCHEMBL23417749 0.77 GBA1 (0.62) GBA1
SCHEMBL21063549 0.77 CYP4F2 (0.40) GBA1ALK
SCHEMBL22794211 0.75 CYP19A1 (0.58) GBA1CYP19A1
SCHEMBL24406787 0.75 GPR88 (0.35) GBA1ALK
SCHEMBL13471584 0.75
SCHEMBL23619333 0.74 CYP19A1 (0.38) GBA1CYP19A1
SCHEMBL9915128 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137468-A1 MODULATION OF COMPLEMENT ACTIVITY UCB HOLDINGS, INC. 2017-05-18 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-20170137468-A1 MODULATION OF COMPLEMENT ACTIVITY C5, C3AR1, CFH GBA1 553/4885CYP19A1 3885/4885KDM4E 3632/4885

“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.