SCHEMBL17594580

SCHEMBL17594580

CO/C=C/c1cc(Br)cnc1OC

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.32
TTK P33981 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
TEAD2 Q15562 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
DYRK1B Q9Y463 2/20 0.31
ERN1 O75460 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL17594581 1.00 AURKA (0.32) AURKATTKAURKBINCENPPIK3CA
SCHEMBL25293011 0.81 OPRK1 (0.32) HTTSMN1; SMN2DYRK1A
SCHEMBL25242198 0.81 OPRK1 (0.32) HTTSMN1; SMN2DYRK1A
SCHEMBL1465179 0.80 ERN1 (0.35) AURKATTKAURKBINCENPPIK3CA
SCHEMBL1465182 0.80 ERN1 (0.35) AURKATTKAURKBINCENPPIK3CA
SCHEMBL1431924 0.79 MAPT (0.33) POLBRAB9AERN1
SCHEMBL1465992 0.79 MAPT (0.33) POLBRAB9AERN1
SCHEMBL671095 0.79 ERN1 (0.46) PIK3CAMTORSMN1; SMN2ERN1
SCHEMBL2258552 0.78 KDM4E (0.42) SMN1; SMN2
SCHEMBL1078728 0.78 CNR2 (0.30)

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
EP-3191478-B1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2019-05-08 EP disclosed
US-10167279-B2 Compounds and compositions as RAF kinase inhibitors NOVARTIS AG (CH) 2019-01-01 US disclosed
US-20180170917-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2018-06-21 US disclosed
EP-3191478-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS Novartis AG (CH) 2017-07-19 EP disclosed
WO-2016038582-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2016-03-17 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 (2 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-20180170917-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF AURKA 509/4885TTK 344/4885AURKB 445/4885
US-10167279-B2 Compounds and compositions as RAF kinase inhibitors BRAF, RAF1, ARAF AURKA 509/4885TTK 344/4885AURKB 445/4885

“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.