SCHEMBL18520696

SCHEMBL18520696

Cc1cc2nccc(-c3cncnc3C)c2c(C)c1-c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ ACVR1 Q04771 3/20 0.41
▸ CAMKK2 Q96RR4 3/20 0.40
▸ SYK P43405 2/20 0.40
▸ CDK1 P06493 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CHUK O15111 2/20 0.39
▸ MAPK8 P45983 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ PIK3CA P42336 3/20 0.39
▸ TGFBR1 P36897 2/20 0.39
▸ INSR P06213 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL18520602 0.90 LRRK2 (0.46) LRRK2HRH3ACVR1CAMKK2SYK
SCHEMBL18520600 0.85 CDK9 (0.46) LRRK2ACVR1CAMKK2CDK1CDK2
SCHEMBL18520762 0.85 ABL1 (0.45) LRRK2HRH3ACVR1CAMKK2CHUK
SCHEMBL18520694 0.84 LRRK2 (0.48) LRRK2HRH3ACVR1CAMKK2CHUK
SCHEMBL18520534 0.84 TNKS (0.45) LRRK2HRH3CAMKK2SYKCDK1
SCHEMBL18520743 0.84 LRRK2 (0.48) LRRK2HRH3ACVR1CAMKK2SYK
SCHEMBL18520742 0.84 PDE2A (0.47) LRRK2HRH3CAMKK2CHUKMAPK8
SCHEMBL21100744 0.84 HRH3 (0.50) LRRK2HRH3CAMKK2SYKCDK1
SCHEMBL18520314 0.82 HRH3 (0.41) LRRK2HRH3ACVR1CAMKK2SYK
SCHEMBL18520309 0.81 CAMKK2 (0.42) LRRK2HRH3ACVR1CAMKK2CHUK

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 3416/4885HRH3 2194/4885ACVR1 1917/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT LRRK2 3416/4885HRH3 2194/4885ACVR1 1917/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT LRRK2 3416/4885HRH3 2194/4885ACVR1 1917/4885

“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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