SCHEMBL18520754

SCHEMBL18520754

CNC(=O)c1cc(-c2ccccc2F)c2c(C)c(-c3cccnc3)c(C)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ DHODH Q02127 2/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GCK P35557 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ NUDT1 P36639 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36

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
SCHEMBL18520517 0.89 GRM2 (0.40) DHODHGCKHPGDGRM2ADORA2A
SCHEMBL18520426 0.85 DHODH (0.39) DHODHGRM2ADORA2AADORA1
SCHEMBL18520544 0.85 GRM2 (0.38) DHODHGRM2ADORA2AADORA1
SCHEMBL18520536 0.84 ALDH1A1 (0.40) DHODHALDH1A1GRM2ADORA2AADORA1
SCHEMBL18520700 0.83 PIM2 (0.40) DHODHGRM2ADORA2AADORA1
SCHEMBL18520749 0.81 DHODH (0.42) DHODHGRM2ADORA2AADORA1
SCHEMBL18520542 0.81 KDM4E (0.39) CYP1A2CYP3A4DHODHMKNK2CYP2C19
SCHEMBL18520709 0.81 GRM2 (0.42) DHODHMKNK2GAAGRM2ADORA2A
SCHEMBL18520432 0.81 GRM2 (0.42) DHODHMKNK2GAAGRM2ADORA2A
SCHEMBL18520319 0.79 ALDH1A1 (0.42) KDM4EALDH1A1HPGDMAPT

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 CYP1A2 1502/4885CYP3A4 1639/4885DHODH 471/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT CYP1A2 1502/4885CYP3A4 1639/4885DHODH 471/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT CYP1A2 1502/4885CYP3A4 1639/4885DHODH 471/4885

“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