SCHEMBL21886149

SCHEMBL21886149

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.58
RXFP1 Q9HBX9 2/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL21886163 0.92 CRHR1 (0.52) CRHR1RXFP1POLBL3MBTL1MEN1
SCHEMBL21886412 0.90 CRHR1 (0.60) CRHR1MEN1KMT2A
SCHEMBL21886413 0.89 CRHR1 (0.58) CRHR1RXFP1L3MBTL1MEN1KMT2A
SCHEMBL8203092 0.89 CRHR1 (0.58) CRHR1MEN1KMT2A
SCHEMBL20733327 0.89 CRHR1 (0.75) CRHR1MEN1KMT2A
SCHEMBL21886231 0.82 CRHR1 (0.62) CRHR1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL8202018 0.81 CRHR1 (0.56) CRHR1
SCHEMBL8204710 0.80 CRHR1 (0.57) CRHR1
SCHEMBL21886137 0.79 CRHR1 (0.52) CRHR1MEN1KMT2AALDH1A1LMNA
SCHEMBL7534738 0.79 CRHR1 (0.49) CRHR1

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 36/4885RXFP1 4476/4885POLB 863/4885
US-20200190094-A1 TRIAZOLOPYRIDINES AND TRIAZOLOPYRIMIDINES THAT LOWER STRESS-INDUCED P-TAU MAPT, PYGB, PSEN1 CRHR1 92/4885RXFP1 4228/4885POLB 2917/4885
US-10618899-B2 Substituted [1,2,3]triazolo[4,5-d]pyrimidines that lower stress-induced p-tau MAPT, PSEN1, PSEN2 CRHR1 44/4885RXFP1 4524/4885POLB 822/4885

“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.