SCHEMBL18520431

SCHEMBL18520431

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 12/20 0.41
▸ CCNT1 O60563 11/20 0.41
▸ GRM2 Q14416 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ VCP P55072 1/20 0.32

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
SCHEMBL18520551 0.90 CDK9 (0.39) CDK9CCNT1GRM2DHODHRORC
SCHEMBL18520608 0.88 GRM2 (0.34) GRM2DHODHBRD4
SCHEMBL18520609 0.88 DHODH (0.33) GRM2DHODHBRD4
SCHEMBL18520428 0.87 TSHR (0.33) CDK9CCNT1BRD4
SCHEMBL18520610 0.82 JAK2 (0.35) BRD4
SCHEMBL18520517 0.78 GRM2 (0.40) GRM2DHODH
SCHEMBL18520430 0.76 PDK4 (0.45) CDK9CCNT1
SCHEMBL18520705 0.76 GRM2 (0.39) GRM2DHODHBRD4
SCHEMBL18520426 0.76 DHODH (0.39) GRM2DHODH
SCHEMBL18520542 0.75 KDM4E (0.39) GRM2DHODH

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 CDK9 2227/4885CCNT1 1578/4885GRM2 4698/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT CDK9 2227/4885CCNT1 1578/4885GRM2 4698/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT CDK9 2227/4885CCNT1 1578/4885GRM2 4698/4885

“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