SCHEMBL18520428

SCHEMBL18520428

CNC(=O)c1cc(-c2ccccc2F)c2c(C)c(C3=CCC(C(=O)N4CCOCC4)CC3)c(C)cc2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ SOS1 Q07889 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ PDE4B Q07343 2/20 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
SCHEMBL18520431 0.87 CDK9 (0.41) BRD4CCNT1CDK9
SCHEMBL18520610 0.86 JAK2 (0.35) TSHRJAK2JAK1TYK2JAK3
SCHEMBL18520551 0.84 CDK9 (0.39) TSHRKDM4EMAPK1BRD4CCNT1
SCHEMBL18520608 0.82 GRM2 (0.34) BRD4
SCHEMBL18520609 0.82 DHODH (0.33) BRD4
SCHEMBL18520702 0.80 JAK1 (0.39) TSHRJAK2JAK1TYK2JAK3
SCHEMBL18520701 0.80 PIK3CB (0.32) TSHRJAK2JAK1TYK2JAK3
SCHEMBL18520533 0.76 HSP90AA1 (0.50) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL18520430 0.76 PDK4 (0.45) JAK1CCNT1CDK9
SCHEMBL18520517 0.72 GRM2 (0.40) HPGD

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 TSHR 3335/4885JAK2 1584/4885JAK1 1862/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT TSHR 3335/4885JAK2 1584/4885JAK1 1862/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT TSHR 3335/4885JAK2 1584/4885JAK1 1862/4885

“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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