SCHEMBL18520388

SCHEMBL18520388

Cc1cc2nccc(-c3ccccc3C#N)c2c(C)c1-c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.52
▸ CAMKK2 Q96RR4 4/20 0.48
▸ CHUK O15111 3/20 0.47
▸ MAPK8 P45983 3/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ TBK1 Q9UHD2 3/20 0.43
▸ CNR2 P34972 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ SLC2A2 P11168 1/20 0.41
▸ SRC P12931 3/20 0.41
▸ EGFR P00533 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ FLT1 P17948 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ SYK P43405 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
SCHEMBL18520535 0.89 LRRK2 (0.47) LRRK2CAMKK2CHUKMAPK8NSD2
SCHEMBL18520742 0.87 PDE2A (0.47) LRRK2CAMKK2CHUKMAPK8ALDH1A1
SCHEMBL18520694 0.86 LRRK2 (0.48) LRRK2CAMKK2CHUKMAPK8ALDH1A1
SCHEMBL18520309 0.85 CAMKK2 (0.42) LRRK2CAMKK2CHUKMAPK8INSR
SCHEMBL18520534 0.84 TNKS (0.45) LRRK2CAMKK2CHUKMAPK8EGFR
SCHEMBL18520695 0.83 DHODH (0.46) CAMKK2CHUKMAPK8SYKINSR
SCHEMBL21100828 0.82 SYK (0.49) CAMKK2CHUKMAPK8SYKINSR
SCHEMBL18520601 0.82 JAK2 (0.42) LRRK2CAMKK2CHUKMAPK8SYK
SCHEMBL18520602 0.82 LRRK2 (0.46) LRRK2CAMKK2CHUKMAPK8SYK
SCHEMBL18520743 0.82 LRRK2 (0.48) LRRK2CAMKK2CHUKMAPK8SYK

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.

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