SCHEMBL18520757

SCHEMBL18520757

COC(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccc(CN4CCOCC4)cc3)c(C)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.44
▸ PDE6D O43924 1/20 0.44
▸ PDE6A P16499 1/20 0.44
▸ PDE6G P18545 1/20 0.44
▸ PDE6B P35913 1/20 0.44
▸ PDE6C P51160 1/20 0.44
▸ PDE1B Q01064 1/20 0.44
▸ PDE7A Q13946 1/20 0.44
▸ PDE6H Q13956 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ PDCD1 Q15116 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ HSP90AA1 P07900 6/20 0.40
▸ HSP90AB1 P08238 6/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ ENPP2 Q13822 3/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.39

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
SCHEMBL18520439 0.82 HRH3 (0.42) PDE2APDE6DPDE6APDE6GPDE6B
SCHEMBL18520533 0.82 HSP90AA1 (0.50) PDE2APDCD1CD274HSP90AA1HSP90AB1
SCHEMBL18520742 0.81 PDE2A (0.47) PDE2APDE6DPDE6APDE6GPDE6B
SCHEMBL13188262 0.77 GRM2 (0.55) PDE10AGRM2MAPK1SMN1; SMN2PIK3CD
SCHEMBL18520300 0.75 CDC7 (0.52) PDE2APDE10AGRM2
SCHEMBL18520695 0.74 DHODH (0.46) PDCD1CD274HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL21100828 0.73 SYK (0.49) HSP90AA1HSP90AB1GRM2SMN1; SMN2PIK3CD
SCHEMBL3713979 0.73 GRM2 (0.51) PDE10AGRM2
SCHEMBL18520694 0.73 LRRK2 (0.48) PDCD1CD274HSP90AA1HSP90AB1DCTPP1
SCHEMBL18520309 0.72 CAMKK2 (0.42) PDCD1CD274HSP90AA1HSP90AB1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745356-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2020-08-18 — — US disclosed
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2019-09-19 — — US disclosed
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 — — US disclosed
WO-2017027768-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2017-02-16 — — WO 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-10745356-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT PDE2A 1385/4885PDE6D 1472/4885PDE6A 1099/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT PDE2A 1385/4885PDE6D 1472/4885PDE6A 1099/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT PDE2A 1385/4885PDE6D 1472/4885PDE6A 1099/4885

“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.

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