SCHEMBL21886412

SCHEMBL21886412

CCC(COC)n1nnc2c(Nc3ccc(C)cc3C)nc(C)nc21

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.60
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL21886413 0.90 CRHR1 (0.58) CRHR1KDM4EMEN1KMT2A
SCHEMBL8203092 0.90 CRHR1 (0.58) CRHR1MEN1KMT2A
SCHEMBL21886149 0.90 CRHR1 (0.58) CRHR1MEN1KMT2A
SCHEMBL20733327 0.90 CRHR1 (0.75) CRHR1MEN1KMT2A
SCHEMBL8202018 0.87 CRHR1 (0.56) CRHR1
SCHEMBL21886163 0.84 CRHR1 (0.52) CRHR1MEN1KMT2A
SCHEMBL21886231 0.83 CRHR1 (0.62) CRHR1KDM4EMEN1KMT2A
SCHEMBL8204710 0.82 CRHR1 (0.57) CRHR1
SCHEMBL7534738 0.81 CRHR1 (0.49) CRHR1
SCHEMBL21886137 0.81 CRHR1 (0.52) CRHR1KDM4EMEN1KMT2A

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-10844071-B2 Substituted [1,2,3]triazolo[4,5-d]pyrimidines that lower stress-induced p-tau BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2020-11-24 US disclosed
US-20200190094-A1 TRIAZOLOPYRIDINES AND TRIAZOLOPYRIMIDINES THAT LOWER STRESS-INDUCED P-TAU BUCK INSTITUTE FOR RESEARCH ON AGING 2020-06-18 US disclosed
US-10618899-B2 Substituted [1,2,3]triazolo[4,5-d]pyrimidines that lower stress-induced p-tau BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2020-04-14 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 (3 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-10844071-B2 Substituted [1,2,3]triazolo[4,5-d]pyrimidines that lower stress-induced p-tau MAPT, PSEN1, PSEN2 CRHR1 36/4885KDM4E 3937/4885NPSR1 1137/4885
US-20200190094-A1 TRIAZOLOPYRIDINES AND TRIAZOLOPYRIMIDINES THAT LOWER STRESS-INDUCED P-TAU MAPT, PYGB, PSEN1 CRHR1 92/4885KDM4E 2545/4885NPSR1 1416/4885
US-10618899-B2 Substituted [1,2,3]triazolo[4,5-d]pyrimidines that lower stress-induced p-tau MAPT, PSEN1, PSEN2 CRHR1 44/4885KDM4E 4346/4885NPSR1 1305/4885

“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.