SCHEMBL20515380

SCHEMBL20515380

Cc1ccc2nc3cc(N4CC([18F])C4)ccn3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.40
MAPT P10636 6/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 3/20 0.38
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
POLB P06746 4/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
KDM4E B2RXH2 3/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
THRB P10828 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
SCHEMBL18838764 1.00 IKBKB (0.40) IKBKBMAPTALDH1A1GAALMNA
SCHEMBL31031217 0.90 HTR3E (0.40) ALDH1A1GAALMNATP53POLB
SCHEMBL31031221 0.90 HTR3E (0.40) ALDH1A1GAALMNATP53POLB
SCHEMBL18867172 0.88 MAPT (0.41) IKBKBMAPTALDH1A1GAALMNA
SCHEMBL22986624 0.87 IKBKB (0.42) IKBKBMAPTALDH1A1GAALMNA
SCHEMBL18838775 0.87 IKBKB (0.40) IKBKBMAPTALDH1A1GAALMNA
SCHEMBL22986638 0.86 IKBKB (0.38) IKBKBMAPTALDH1A1GAALMNA
SCHEMBL21035441 0.83 IKBKB (0.42) IKBKBMAPTALDH1A1GAALMNA
SCHEMBL21035280 0.80 MAPT (0.37) IKBKBMAPTALDH1A1GAALMNA
SCHEMBL31031246 0.80

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
EP-3374358-B1 AZETIDINE DERIVATIVES FOR TAU IMAGING LILLY CO ELI (US) 2021-02-17 EP disclosed
US-10301308-B2 Azetidine derivatives for tau imaging ELI LILLY AND COMPANY (US) 2019-05-28 US disclosed
US-20180282322-A1 AZETIDINE DERIVATIVES FOR TAU IMAGING ELI LILLY AND COMPANY 2018-10-04 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 (2 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-10301308-B2 Azetidine derivatives for tau imaging MAPT, PSEN2, PSEN1 IKBKB 1915/4885MAPT 1/4885ALDH1A1 4225/4885
US-20180282322-A1 AZETIDINE DERIVATIVES FOR TAU IMAGING MAPT, PSEN2, PSEN1 IKBKB 1915/4885MAPT 1/4885ALDH1A1 4225/4885

“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.