SCHEMBL18520533

SCHEMBL18520533

CNC(=O)c1cc(-c2ccccc2F)c2c(C)c(-c3ccc(CN4CCOCC4)cc3)c(C)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 6/20 0.50
▸ HSP90AB1 P08238 6/20 0.50
▸ GRM2 Q14416 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PDCD1 Q15116 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ WDR5 P61964 4/20 0.39
▸ PDE2A O00408 2/20 0.39
▸ BDKRB1 P46663 1/20 0.39
▸ PDK1 Q15118 1/20 0.38

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
SCHEMBL18520757 0.82 PDE2A (0.44) HSP90AA1HSP90AB1GRM2SMN1; SMN2PIK3CD
SCHEMBL18520517 0.81 GRM2 (0.40) GRM2DHODH
SCHEMBL18520610 0.80 JAK2 (0.35) HSP90AA1HSP90AB1SMN1; SMN2JAK2JAK1
SCHEMBL18520536 0.78 ALDH1A1 (0.40) GRM2DHODHPDE2A
SCHEMBL18520754 0.77 CYP1A2 (0.42) GRM2NPC1RAB9ASMN1; SMN2DHODH
SCHEMBL18520544 0.77 GRM2 (0.38) GRM2DHODH
SCHEMBL18520702 0.76 JAK1 (0.39) GRM2SMN1; SMN2JAK2JAK1TYK2
SCHEMBL18520701 0.76 PIK3CB (0.32) GRM2JAK2JAK1TYK2JAK3
SCHEMBL18520428 0.76 TSHR (0.33) SMN1; SMN2JAK2JAK1TYK2JAK3
SCHEMBL18520439 0.76 HRH3 (0.42) HSP90AA1HSP90AB1GRM2WDR5PDE2A

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 HSP90AA1 1264/4885HSP90AB1 1069/4885GRM2 4698/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT HSP90AA1 1264/4885HSP90AB1 1069/4885GRM2 4698/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT HSP90AA1 1264/4885HSP90AB1 1069/4885GRM2 4698/4885

“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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