SCHEMBL18520400

SCHEMBL18520400

COc1cccc(-c2ccnc3cc(C)c(-c4ccc(CN5CCOCC5)cc4)c(C)c23)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.47
▸ JAK1 P23458 5/20 0.47
▸ PDE4B Q07343 2/20 0.46
▸ CDK1 P06493 3/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ CDK9 P50750 3/20 0.46
▸ CASP3 P42574 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ TYK2 P29597 4/20 0.44
▸ JAK3 P52333 4/20 0.44
▸ MAP4K1 Q92918 1/20 0.41
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ LRRK2 Q5S007 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
SCHEMBL18520307 0.91 JAK2 (0.51) JAK2JAK1PDE4BCDK1CDK2
SCHEMBL18520601 0.86 JAK2 (0.42) JAK2JAK1PDE4BCDK1CDK2
SCHEMBL18520742 0.86 PDE2A (0.47) JAK2JAK1PDCD1CD274ALDH1A1
SCHEMBL18520600 0.85 CDK9 (0.46) JAK2JAK1PDE4BCDK1CDK2
SCHEMBL18520534 0.84 TNKS (0.45) JAK2JAK1CDK1CDK2CDK9
SCHEMBL18520383 0.83 PDE4B (0.52) PDE4BALDH1A1HTTLRRK2
SCHEMBL18520694 0.82 LRRK2 (0.48) PDCD1CD274ALDH1A1LRRK2
SCHEMBL18520743 0.82 LRRK2 (0.48) CDK1CDK2CDK9CASP3CASP7
SCHEMBL18520309 0.81 CAMKK2 (0.42) JAK2JAK1PDCD1CD274LRRK2
SCHEMBL18520388 0.81 LRRK2 (0.52) ALDH1A1LRRK2

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 JAK2 1584/4885JAK1 1862/4885PDE4B 751/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT JAK2 1584/4885JAK1 1862/4885PDE4B 751/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT JAK2 1584/4885JAK1 1862/4885PDE4B 751/4885

“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.

Send feedback