SCHEMBL18520610

SCHEMBL18520610

CNC(=O)c1cc(-c2ccccc2F)c2c(C)c(C3=CCC(CN4CCOCC4)CC3)c(C)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PIK3CB P42338 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ THRB P10828 2/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ NAPEPLD Q6IQ20 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ AVPR1B P47901 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18520609 0.87 DHODH (0.33) BRD4HCRTR1HCRTR2
SCHEMBL18520428 0.86 TSHR (0.33) JAK2JAK1TYK2JAK3PIK3CB
SCHEMBL18520431 0.82 CDK9 (0.41) BRD4
SCHEMBL18520608 0.82 GRM2 (0.34) BRD4
SCHEMBL18520551 0.80 CDK9 (0.39) TSHRBRD4POLBMAPK1SMN1; SMN2
SCHEMBL18520533 0.80 HSP90AA1 (0.50) JAK2JAK1TYK2JAK3HSP90AA1
SCHEMBL18520702 0.80 JAK1 (0.39) JAK2JAK1TYK2JAK3PIK3CB
SCHEMBL18520701 0.79 PIK3CB (0.32) JAK2JAK1TYK2JAK3PIK3CB
SCHEMBL18520430 0.74 PDK4 (0.45) JAK1
SCHEMBL18520611 0.72 CYP3A4 (0.39) BRD4AVPR1B

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 1862/4885TYK2 4276/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT JAK2 1584/4885JAK1 1862/4885TYK2 4276/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT JAK2 1584/4885JAK1 1862/4885TYK2 4276/4885

“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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