Sugi Predict

Sugi Predict / Compounds / SCHEMBL19863408

SCHEMBL19863408

SCHEMBL19863408

COc1cc(N2CCOC[C@@H]2C)ccc1-c1ccc(CC(=O)NCc2ccc(F)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.52
▸ TUBB4A P04350 2/20 0.45
▸ TUBB P07437 2/20 0.45
▸ TUBA3C P0DPH7 2/20 0.45
▸ TUBA1B P68363 2/20 0.45
▸ TUBA4A P68366 2/20 0.45
▸ TUBB4B P68371 2/20 0.45
▸ TUBB3 Q13509 2/20 0.45
▸ TUBB2A Q13885 2/20 0.45
▸ TUBB8 Q3ZCM7 2/20 0.45
▸ TUBA3E Q6PEY2 2/20 0.45
▸ TUBA1A Q71U36 2/20 0.45
▸ TUBA1C Q9BQE3 2/20 0.45
▸ TUBB6 Q9BUF5 2/20 0.45
▸ TUBB2B Q9BVA1 2/20 0.45
▸ TUBB1 Q9H4B7 2/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ LYN P07948 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ CNR2 P34972 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
SCHEMBL19863407 0.92 SRC (0.63) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19863410 0.92 TUBB4A (0.54) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19863409 0.91 SRC (0.45) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19863406 0.91 SRC (0.53) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19863412 0.88 SRC (0.47) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19863426 0.84 SRC (0.49) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19863411 0.83 SRC (0.43) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19863389 0.83 SRC (0.65) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19863387 0.83 TUBB4A (0.53) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19863386 0.83 TUBB4A (0.53) SRCTUBB4ATUBBTUBA3CTUBA1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210196724-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE ATHENEX, INC. 2021-07-01 — — US disclosed
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 (4 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 SRC 81/4885TUBB4A 1008/4885TUBB 779/4885
US-20190125754-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE PLK1, MAP3K2, TNK2 SRC 81/4885TUBB4A 1008/4885TUBB 779/4885
US-10973828-B2 Biaryl compositions and methods for modulating a kinase cascade PLK1, MAP3K2, TNK2 SRC 81/4885TUBB4A 1008/4885TUBB 779/4885
US-20210196724-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE PLK1, MAP3K2, TNK2 SRC 81/4885TUBB4A 1008/4885TUBB 779/4885

“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.