SCHEMBL18520749

SCHEMBL18520749

CNC(=O)c1cc(-c2ccccc2F)c2c(C)c(-c3ccnc(C(F)(F)F)c3)c(C)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 6/20 0.42
▸ GRM2 Q14416 4/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ ADORA1 P30542 2/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ RAF1 P04049 2/20 0.35
▸ BRAF P15056 2/20 0.35
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ USP1 O94782 1/20 0.33
▸ WDR48 Q8TAF3 1/20 0.33

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
SCHEMBL18520544 0.89 GRM2 (0.38) DHODHGRM2ADORA1ADORA2ARAF1
SCHEMBL18520700 0.87 PIM2 (0.40) DHODHGRM2ADORA1ADORA2ARAF1
SCHEMBL18520517 0.86 GRM2 (0.40) DHODHGRM2ADORA1ADORA2A
SCHEMBL18520536 0.83 ALDH1A1 (0.40) DHODHGRM2ADORA1ADORA2ARAF1
SCHEMBL18520426 0.82 DHODH (0.39) DHODHGRM2ADORA1ADORA2A
SCHEMBL18520754 0.81 CYP1A2 (0.42) DHODHGRM2ADORA1ADORA2A
SCHEMBL18520542 0.78 KDM4E (0.39) DHODHGRM2ADORA1ADORA2AKDR
SCHEMBL18520709 0.78 GRM2 (0.42) DHODHGRM2ADORA1ADORA2AKDR
SCHEMBL18520432 0.78 GRM2 (0.42) DHODHGRM2ADORA1ADORA2AKDR
SCHEMBL18520596 0.76 GRM2 (0.54) DHODHGRM2

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 DHODH 471/4885GRM2 4698/4885HDAC4 567/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT DHODH 471/4885GRM2 4698/4885HDAC4 567/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT DHODH 471/4885GRM2 4698/4885HDAC4 567/4885

“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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