SCHEMBL369486

SCHEMBL369486

c1ccc2c(c1)ncn2-n1cnc2cncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.40
LTA4H P09960 1/20 0.39
CYP1A2 P05177 5/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP2C9 P11712 4/20 0.39
TSHR P16473 4/20 0.39
CYP3A4 P08684 4/20 0.39
LMNA P02545 3/20 0.39
CYP2C19 P33261 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HBB P68871 1/20 0.39
EGFR P00533 1/20 0.39
POLB P06746 1/20 0.37
TNF P01375 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
FDPS P14324 1/20 0.36
CLK4 Q9HAZ1 3/20 0.36

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
SCHEMBL2120550 0.84 FDPS (0.45) LTA4HCYP1A2ALDH1A1CYP2C9TSHR
SCHEMBL28340215 0.82 FDPS (0.44) LTA4HCYP1A2ALDH1A1CYP2C9TSHR
SCHEMBL7196401 0.80 TDP1 (0.58) TDP1HTTLMNAMEN1KMT2A
SCHEMBL7797362 0.78 FDPS (0.37) LTA4HCYP1A2ALDH1A1CYP2C9TSHR
SCHEMBL4706469 0.77 LTA4H (0.38) LTA4HCYP1A2ALDH1A1CYP2C9TSHR
SCHEMBL27714273 0.77 CYP1A2 (0.46) LTA4HCYP1A2ALDH1A1CYP2C9TSHR
SCHEMBL27783128 0.74 FDPS (0.39) LTA4HCYP1A2ALDH1A1CYP2C9TSHR
SCHEMBL27734755 0.72 FDPS (0.40) LTA4HCYP1A2ALDH1A1CYP2C9TSHR
SCHEMBL27558464 0.71 FDPS (0.37) LTA4HCYP1A2ALDH1A1CYP2C9TSHR
SCHEMBL6055010 0.70 FDPS (0.39) LTA4HCYP1A2ALDH1A1CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364451-A1 TROPINOL ESTERS AND RELATED COMPOUNDS TO PROMOTE NORMAL PROCESSING OF APP BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2014-12-11 US claimed
WO-2013019901-A2 TROPINOL ESTERS AND RELATED COMPOUNDS TO PROMOTE NORMAL PROCESSING OF APP BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2013-02-07 WO claimed
US-11325904-B2 Tropinol esters and related compounds to promote normal processing of APP BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2022-05-10 US disclosed
EP-2593455-B1 PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-03-18 EP disclosed
US-20140364451-A1 TROPINOL ESTERS AND RELATED COMPOUNDS TO PROMOTE NORMAL PROCESSING OF APP BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2014-12-11 US disclosed
EP-2593455-A1 PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2013019901-A2 TROPINOL ESTERS AND RELATED COMPOUNDS TO PROMOTE NORMAL PROCESSING OF APP BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2013-02-07 WO disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
WO-2012007493-A1 PURINE COMPOUNDS SELECTIVE FOR ΡI3Κ P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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-20140364451-A1 TROPINOL ESTERS AND RELATED COMPOUNDS TO PROMOTE NORMAL PROCESSING OF APP APP, BACE1, APBA1 TDP1 267/4885HTT 196/4885LTA4H 1242/4885
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG TDP1 181/4885HTT 3119/4885LTA4H 2306/4885
US-11325904-B2 Tropinol esters and related compounds to promote normal processing of APP APP, BACE1, APBA1 TDP1 267/4885HTT 196/4885LTA4H 1242/4885

“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.