SCHEMBL21886232

SCHEMBL21886232

CCC(COC)n1nnc2c(N(C)C3CCOCC3)nc(C)nc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.36
TNF P01375 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL22106778 0.94 CRHR1 (0.39) CRHR1CYP3A4
SCHEMBL20733330 0.74 CRHR1 (0.48) CRHR1
SCHEMBL7218557 0.72 CRHR1 (0.40) CRHR1ALDH1A1TSHR
SCHEMBL21886230 0.70 CRHR1 (0.45) CRHR1
SCHEMBL20733328 0.70 CRHR1 (0.51) CRHR1
SCHEMBL21886138 0.70 LMNA (0.43) CRHR1KDM4EALDH1A1CYP3A4HPGD
SCHEMBL7534790 0.69 CRHR1 (0.47) CRHR1
SCHEMBL21886229 0.69 LMNA (0.36) CRHR1ALDH1A1
SCHEMBL8202018 0.64 CRHR1 (0.56) CRHR1
SCHEMBL21886137 0.63 CRHR1 (0.52) CRHR1KDM4EALDH1A1

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 36/4885TNF 1699/4885PDE4D 555/4885
US-20200190094-A1 TRIAZOLOPYRIDINES AND TRIAZOLOPYRIMIDINES THAT LOWER STRESS-INDUCED P-TAU MAPT, PYGB, PSEN1 CRHR1 92/4885TNF 2038/4885PDE4D 78/4885
US-10618899-B2 Substituted [1,2,3]triazolo[4,5-d]pyrimidines that lower stress-induced p-tau MAPT, PSEN1, PSEN2 CRHR1 44/4885TNF 2719/4885PDE4D 442/4885

“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.