SCHEMBL18520702

SCHEMBL18520702

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 2/20 0.39
▸ CCNT1 O60563 6/20 0.36
▸ CDK9 P50750 6/20 0.36
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ F2 P00734 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ PIK3CB P42338 1/20 0.33
▸ GRM2 Q14416 1/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ MMP2 P08253 2/20 0.32
▸ MMP3 P08254 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ JAK2 O60674 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
SCHEMBL18520701 0.85 PIK3CB (0.32) JAK1CCNT1CDK9POLBTSHR
SCHEMBL18520428 0.80 TSHR (0.33) JAK1CCNT1CDK9ALDH1A1TSHR
SCHEMBL18520610 0.80 JAK2 (0.35) JAK1POLBTSHRPIK3CBSMN1; SMN2
SCHEMBL18520430 0.79 PDK4 (0.45) JAK1CCNT1CDK9
SCHEMBL18520533 0.76 HSP90AA1 (0.50) JAK1GRM2SMN1; SMN2JAK2TYK2
SCHEMBL18520608 0.75 GRM2 (0.34) GRM2
SCHEMBL18520431 0.75 CDK9 (0.41) CCNT1CDK9GRM2
SCHEMBL18520609 0.74 DHODH (0.33) GRM2
SCHEMBL18520536 0.73 ALDH1A1 (0.40) ALDH1A1GRM2
SCHEMBL18520517 0.73 GRM2 (0.40) POLBGRM2

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 JAK1 1862/4885CCNT1 1578/4885CDK9 2227/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT JAK1 1862/4885CCNT1 1578/4885CDK9 2227/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT JAK1 1862/4885CCNT1 1578/4885CDK9 2227/4885

“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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