SCHEMBL18520762

SCHEMBL18520762

Cc1cc2nccc(-c3cccnc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ LRRK2 Q5S007 2/20 0.45
▸ CAMKK2 Q96RR4 3/20 0.43
▸ CHUK O15111 2/20 0.43
▸ MAPK8 P45983 2/20 0.43
▸ KIT P10721 1/20 0.43
▸ INSR P06213 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ USP7 Q93009 1/20 0.41
▸ ACVR1 Q04771 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ TGFBR1 P36897 2/20 0.41
▸ CCNC P24863 2/20 0.41
▸ CDK8 P49336 2/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 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
SCHEMBL18520602 0.92 LRRK2 (0.46) LRRK2CAMKK2CHUKMAPK8INSR
SCHEMBL18520694 0.90 LRRK2 (0.48) LRRK2CAMKK2CHUKMAPK8INSR
SCHEMBL18520383 0.87 PDE4B (0.52) LRRK2CAMKK2CHUKMAPK8PDE10A
SCHEMBL18520534 0.86 TNKS (0.45) LRRK2CAMKK2CHUKMAPK8INSR
SCHEMBL18520743 0.86 LRRK2 (0.48) LRRK2CAMKK2CHUKMAPK8INSR
SCHEMBL18520696 0.85 LRRK2 (0.41) LRRK2CAMKK2CHUKMAPK8INSR
SCHEMBL18520742 0.84 PDE2A (0.47) LRRK2CAMKK2CHUKMAPK8INSR
SCHEMBL21100744 0.84 HRH3 (0.50) LRRK2CAMKK2CHUKMAPK8INSR
SCHEMBL18520600 0.84 CDK9 (0.46) LRRK2CAMKK2ACVR1TGFBR1JAK2
SCHEMBL18520309 0.83 CAMKK2 (0.42) 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 ABL1 387/4885BCR 1942/4885LRRK2 3416/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT ABL1 387/4885BCR 1942/4885LRRK2 3416/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT ABL1 387/4885BCR 1942/4885LRRK2 3416/4885

“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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