SCHEMBL18520694

SCHEMBL18520694

Cc1cc2nccc(-c3ccccc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.48
▸ PDCD1 Q15116 2/20 0.45
▸ CD274 Q9NZQ7 2/20 0.45
▸ CAMKK2 Q96RR4 3/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ CHUK O15111 2/20 0.43
▸ MAPK8 P45983 2/20 0.43
▸ TGFBR1 P36897 2/20 0.43
▸ DCTPP1 Q9H773 1/20 0.43
▸ SLC2A1 P11166 1/20 0.43
▸ INSR P06213 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ACVR1 Q04771 1/20 0.41

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
SCHEMBL18520743 0.92 LRRK2 (0.48) LRRK2CAMKK2HRH3CHUKMAPK8
SCHEMBL18520383 0.90 PDE4B (0.52) LRRK2CAMKK2HRH3CHUKMAPK8
SCHEMBL18520762 0.90 ABL1 (0.45) LRRK2CAMKK2HRH3CHUKMAPK8
SCHEMBL18520602 0.90 LRRK2 (0.46) LRRK2CAMKK2HRH3CHUKMAPK8
SCHEMBL18520534 0.90 TNKS (0.45) LRRK2CAMKK2HRH3CHUKMAPK8
SCHEMBL18520742 0.89 PDE2A (0.47) LRRK2PDCD1CD274CAMKK2HRH3
SCHEMBL18520309 0.89 CAMKK2 (0.42) LRRK2PDCD1CD274CAMKK2HRH3
SCHEMBL21100744 0.87 HRH3 (0.50) LRRK2CAMKK2HRH3CHUKMAPK8
SCHEMBL18520695 0.87 DHODH (0.46) PDCD1CD274CAMKK2HSP90AA1HSP90AB1
SCHEMBL18520388 0.86 LRRK2 (0.52) LRRK2CAMKK2CHUKMAPK8INSR

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 3416/4885PDCD1 4065/4885CD274 2032/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT LRRK2 3416/4885PDCD1 4065/4885CD274 2032/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT LRRK2 3416/4885PDCD1 4065/4885CD274 2032/4885

“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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