SCHEMBL18520309

SCHEMBL18520309

Cc1cc2nccc(-c3ccccc3CO)c2c(C)c1-c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CAMKK2 Q96RR4 4/20 0.42
▸ CHUK O15111 3/20 0.42
▸ MAPK8 P45983 3/20 0.42
▸ INSR P06213 2/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ TGFBR1 P36897 2/20 0.40
▸ ACVR1 Q04771 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ CD274 Q9NZQ7 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ PDCD1 Q15116 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ CYP2A13 Q16696 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ TNKS O95271 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ ACVRL1 P37023 1/20 0.39

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
SCHEMBL18520694 0.89 LRRK2 (0.48) CAMKK2CHUKMAPK8INSRLRRK2
SCHEMBL18520742 0.88 PDE2A (0.47) CAMKK2CHUKMAPK8INSRLRRK2
SCHEMBL18520527 0.88 NSD2 (0.38) CAMKK2CHUKMAPK8INSRLRRK2
SCHEMBL18520695 0.86 DHODH (0.46) CAMKK2CHUKMAPK8INSRCD274
SCHEMBL21100828 0.85 SYK (0.49) CAMKK2CHUKMAPK8INSRJAK2
SCHEMBL18520534 0.85 TNKS (0.45) CAMKK2CHUKMAPK8INSRLRRK2
SCHEMBL18520743 0.85 LRRK2 (0.48) CAMKK2CHUKMAPK8INSRLRRK2
SCHEMBL18520388 0.85 LRRK2 (0.52) CAMKK2CHUKMAPK8INSRLRRK2
SCHEMBL18520762 0.83 ABL1 (0.45) CAMKK2CHUKMAPK8INSRLRRK2
SCHEMBL18520601 0.83 JAK2 (0.42) CAMKK2CHUKMAPK8LRRK2TGFBR1

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 CAMKK2 4246/4885CHUK 3476/4885MAPK8 3896/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT CAMKK2 4246/4885CHUK 3476/4885MAPK8 3896/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT CAMKK2 4246/4885CHUK 3476/4885MAPK8 3896/4885

“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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