SCHEMBL18520287

SCHEMBL18520287

Cc1cc2nc(N)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ PLA2G7 Q13093 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 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
SCHEMBL18520288 0.88 ALDH1A1 (0.40) PLA2G7ALDH1A1MAPTNPC1CYP1A2
SCHEMBL18520594 0.88 ALDH1A1 (0.40) PLA2G7ALDH1A1MAPTNPC1CYP1A2
SCHEMBL18520289 0.87 CCNB2 (0.42) PLA2G7ALDH1A1MAPTNPC1CYP1A2
SCHEMBL18520513 0.85 ALDH1A1 (0.38) ALDH1A1MAPTNPC1CYP1A2CYP3A4
SCHEMBL18520511 0.83 PDE2A (0.37) ALDH1A1MAPTNPC1CYP1A2CYP3A4
SCHEMBL18520588 0.83 GRM2 (0.54) NQO2CCNB2CDK1CDK4CCNB1
SCHEMBL18520586 0.83 CDC7 (0.41) ALDH1A1MAPTNPC1CYP1A2CYP3A4
SCHEMBL18520373 0.83 CCNB2 (0.37) ALDH1A1MAPTNPC1CYP1A2CYP3A4
SCHEMBL18520299 0.82 KMT2A (0.43) ALDH1A1MAPTCCNB2CDK1CDK4
SCHEMBL18520682 0.82 CCNB2 (0.36) ALDH1A1MAPTNPC1CYP1A2CYP3A4

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 BACE1 1506/4885ADORA2A 2816/4885ADORA2B 3101/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT BACE1 1506/4885ADORA2A 2816/4885ADORA2B 3101/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT BACE1 1506/4885ADORA2A 2816/4885ADORA2B 3101/4885

“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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