SCHEMBL18520700

SCHEMBL18520700

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 3/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ ADORA1 P30542 3/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ PIM1 P11309 1/20 0.37
▸ ALOX5AP P20292 2/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ DYRK3 O43781 2/20 0.35
▸ CLK1 P49759 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ DYRK2 Q92630 2/20 0.35
▸ DYRK4 Q9NR20 2/20 0.35
▸ DYRK1B Q9Y463 2/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ DHODH Q02127 4/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ KDR P35968 1/20 0.35

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 0.91 GRM2 (0.38) ADORA1ADORA2AGRM2RAF1BRAF
SCHEMBL18520517 0.88 GRM2 (0.40) ADORA1ADORA2AGRM2DHODH
SCHEMBL18520749 0.87 DHODH (0.42) ADORA1ADORA2AGRM2RAF1BRAF
SCHEMBL18520536 0.84 ALDH1A1 (0.40) ADORA1ADORA2AGRM2RAF1BRAF
SCHEMBL18520426 0.83 DHODH (0.39) ADORA1ADORA2AGRM2DHODHPDE4B
SCHEMBL18520754 0.83 CYP1A2 (0.42) ADORA1ADORA2AGRM2DHODH
SCHEMBL18520542 0.81 KDM4E (0.39) PIM3ADORA1ADORA2AGRM2PIM1
SCHEMBL18520432 0.79 GRM2 (0.42) PIM3ADORA1ADORA2AGRM2PIM1
SCHEMBL18520709 0.79 GRM2 (0.42) PIM3ADORA1ADORA2AGRM2PIM1
SCHEMBL18520596 0.77 GRM2 (0.54) GRM2DHODH

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 PIM2 3355/4885PIM3 2648/4885ADORA1 1895/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT PIM2 3355/4885PIM3 2648/4885ADORA1 1895/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT PIM2 3355/4885PIM3 2648/4885ADORA1 1895/4885

“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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