SCHEMBL18520741

SCHEMBL18520741

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.47
▸ BRD4 O60885 1/20 0.43
▸ HSP90AA1 P07900 6/20 0.42
▸ HSP90AB1 P08238 5/20 0.42
▸ PDK1 Q15118 2/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ CAMKK2 Q96RR4 3/20 0.41
▸ CHUK O15111 2/20 0.41
▸ MAPK8 P45983 2/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ SYK P43405 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ FLT1 P17948 1/20 0.40

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
SCHEMBL21100744 0.90 HRH3 (0.50) HRH3CHEK1CAMKK2CHUKMAPK8
SCHEMBL18520743 0.84 LRRK2 (0.48) HRH3CHEK1CAMKK2CHUKMAPK8
SCHEMBL18520534 0.84 TNKS (0.45) HRH3CAMKK2CHUKMAPK8LRRK2
SCHEMBL18520694 0.84 LRRK2 (0.48) HRH3HSP90AA1HSP90AB1CAMKK2CHUK
SCHEMBL18520602 0.84 LRRK2 (0.46) HRH3CHEK1CAMKK2CHUKMAPK8
SCHEMBL18520762 0.83 ABL1 (0.45) HRH3CAMKK2CHUKMAPK8LRRK2
SCHEMBL18520314 0.82 HRH3 (0.41) HRH3CHEK1CAMKK2CHUKMAPK8
SCHEMBL18520742 0.82 PDE2A (0.47) HRH3CAMKK2CHUKMAPK8LRRK2
SCHEMBL18520309 0.81 CAMKK2 (0.42) HRH3HSP90AA1HSP90AB1CAMKK2CHUK
SCHEMBL18520696 0.81 LRRK2 (0.41) HRH3CAMKK2CHUKMAPK8LRRK2

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 HRH3 2194/4885BRD4 108/4885HSP90AA1 1264/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT HRH3 2194/4885BRD4 108/4885HSP90AA1 1264/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT HRH3 2194/4885BRD4 108/4885HSP90AA1 1264/4885

“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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