SCHEMBL18520535

SCHEMBL18520535

Cc1cc2nccc(-c3cccnc3C#N)c2c(C)c1-c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.47
▸ CAMKK2 Q96RR4 4/20 0.46
▸ CHUK O15111 3/20 0.43
▸ MAPK8 P45983 3/20 0.43
▸ NSD2 O96028 1/20 0.41
▸ AKT1 P31749 1/20 0.40
▸ TGFBR1 P36897 2/20 0.39
▸ SYK P43405 3/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ INSR P06213 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3R2 O00459 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 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
SCHEMBL18520388 0.89 LRRK2 (0.52) LRRK2CAMKK2CHUKMAPK8NSD2
SCHEMBL18520601 0.85 JAK2 (0.42) LRRK2CAMKK2CHUKMAPK8AKT1
SCHEMBL18520742 0.84 PDE2A (0.47) LRRK2CAMKK2CHUKMAPK8AKT1
SCHEMBL18520694 0.83 LRRK2 (0.48) LRRK2CAMKK2CHUKMAPK8TGFBR1
SCHEMBL18520534 0.83 TNKS (0.45) LRRK2CAMKK2CHUKMAPK8TGFBR1
SCHEMBL18520309 0.82 CAMKK2 (0.42) LRRK2CAMKK2CHUKMAPK8AKT1
SCHEMBL18520762 0.82 ABL1 (0.45) LRRK2CAMKK2CHUKMAPK8TGFBR1
SCHEMBL18520602 0.81 LRRK2 (0.46) LRRK2CAMKK2CHUKMAPK8TGFBR1
SCHEMBL18520743 0.81 LRRK2 (0.48) LRRK2CAMKK2CHUKMAPK8SYK
SCHEMBL21100744 0.81 HRH3 (0.50) LRRK2CAMKK2CHUKMAPK8TGFBR1

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 LRRK2 3416/4885CAMKK2 4246/4885CHUK 3476/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT LRRK2 3416/4885CAMKK2 4246/4885CHUK 3476/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT LRRK2 3416/4885CAMKK2 4246/4885CHUK 3476/4885

“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