SCHEMBL21100959

SCHEMBL21100959

CNC(=O)c1cc(-c2ccccc2F)c2c(C)cc(C)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 3/20 0.50
▸ GAA P10253 1/20 0.38
▸ BRD4 O60885 4/20 0.38
▸ ADORA2A P29274 3/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ FES P07332 1/20 0.38
▸ RET P07949 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FER P16591 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MARK3 P27448 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
SCHEMBL18520709 0.83 GRM2 (0.42) GRM2GAABRD4ADORA2AADORA1
SCHEMBL18520432 0.83 GRM2 (0.42) GRM2GAABRD4ADORA2AADORA1
SCHEMBL18520517 0.79 GRM2 (0.40) GRM2ADORA2AADORA1ROCK1KMT2A
SCHEMBL18520705 0.78 GRM2 (0.39) GRM2BRD4ADORA2AADORA1
SCHEMBL18520426 0.78 DHODH (0.39) GRM2ADORA2AADORA1
SCHEMBL18520544 0.77 GRM2 (0.38) GRM2ADORA2AADORA1KDRRAF1
SCHEMBL18520754 0.77 CYP1A2 (0.42) GRM2GAAADORA2AADORA1MKNK2
SCHEMBL18520542 0.77 KDM4E (0.39) GRM2GAAADORA2AADORA1PLK4
SCHEMBL18520536 0.76 ALDH1A1 (0.40) GRM2ADORA2AADORA1PDE2ARAF1
SCHEMBL18520700 0.76 PIM2 (0.40) GRM2ADORA2AADORA1DYRK3PIM1

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
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

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 GRM2 4698/4885GAA 689/4885BRD4 108/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT GRM2 4698/4885GAA 689/4885BRD4 108/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT GRM2 4698/4885GAA 689/4885BRD4 108/4885

“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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