SCHEMBL18520601

SCHEMBL18520601

COc1ncccc1-c1ccnc2cc(C)c(-c3ccc(CN4CCOCC4)cc3)c(C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.42
▸ JAK1 P23458 3/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ CDK1 P06493 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ AKT1 P31749 1/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ SYK P43405 2/20 0.39
▸ TGFBR1 P36897 2/20 0.39
▸ CAMKK2 Q96RR4 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MAP4K1 Q92918 1/20 0.38
▸ CHUK O15111 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
SCHEMBL18520307 0.86 JAK2 (0.51) JAK2JAK1PIK3CACDK1CDK2
SCHEMBL18520400 0.86 JAK2 (0.47) JAK2JAK1PIK3CACDK1CDK2
SCHEMBL18520742 0.85 PDE2A (0.47) JAK2JAK1AKT1LRRK2TGFBR1
SCHEMBL18520535 0.85 LRRK2 (0.47) JAK2JAK1PIK3CAAKT1LRRK2
SCHEMBL18520534 0.84 TNKS (0.45) JAK2JAK1CDK1CDK2CDK9
SCHEMBL18520694 0.84 LRRK2 (0.48) LRRK2TGFBR1CAMKK2HRH3CHUK
SCHEMBL18520600 0.83 CDK9 (0.46) JAK2JAK1PIK3CACDK1CDK2
SCHEMBL18520309 0.83 CAMKK2 (0.42) JAK2JAK1AKT1LRRK2TGFBR1
SCHEMBL18520762 0.83 ABL1 (0.45) JAK2JAK1LRRK2TGFBR1CAMKK2
SCHEMBL18520388 0.82 LRRK2 (0.52) LRRK2SYKCAMKK2CHUKMAPK8

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 JAK2 1584/4885JAK1 1862/4885PIK3CA 1373/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT JAK2 1584/4885JAK1 1862/4885PIK3CA 1373/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT JAK2 1584/4885JAK1 1862/4885PIK3CA 1373/4885

“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.

Send feedback