SCHEMBL19863418

SCHEMBL19863418

Cc1cc(N2CCOC[C@@H]2C)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 17/20 0.48
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 1/20 0.41

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
SCHEMBL19863419 1.00 PIK3C3 (0.48) PIK3C3ALDH1A1LMNAMAPTHPGD
SCHEMBL22652053 0.85 PIK3C3 (0.48) PIK3C3
SCHEMBL16611301 0.80 PIK3C3 (0.49) PIK3C3
SCHEMBL19863417 0.80 PIK3C3 (0.49) PIK3C3
SCHEMBL25222723 0.80 PIK3C3 (0.49) PIK3C3
SCHEMBL23866041 0.79 PIK3C3 (0.48) PIK3C3
SCHEMBL21256945 0.78 PIK3C3 (0.50) PIK3C3
SCHEMBL26515061 0.78 PIK3C3 (0.50) PIK3C3
SCHEMBL2599609 0.78 PIK3C3 (0.48) PIK3C3
SCHEMBL2599611 0.78 PIK3C3 (0.48) PIK3C3

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-10973828-B2 Biaryl compositions and methods for modulating a kinase cascade ATHENEX, INC. (US) 2021-04-13 US disclosed
US-20190125754-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE OAKTREE FUND ADMINISTRATION, LLC 2019-05-02 US disclosed
US-20180042934-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE OAKTREE FUND ADMINISTRATION, LLC 2018-02-15 US disclosed
US-20180042934-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE OAKTREE FUND ADMINISTRATION, LLC 2018-02-15 US 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-20180042934-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE PLK1, MAP3K2, TNK2 PIK3C3 616/4885ALDH1A1 3493/4885LMNA 1201/4885
US-20190125754-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE PLK1, MAP3K2, TNK2 PIK3C3 616/4885ALDH1A1 3493/4885LMNA 1201/4885
US-10973828-B2 Biaryl compositions and methods for modulating a kinase cascade PLK1, MAP3K2, TNK2 PIK3C3 616/4885ALDH1A1 3493/4885LMNA 1201/4885

“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.