SCHEMBL18988906

SCHEMBL18988906

CCOC(=O)CC(=O)c1ncc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 3/20 0.36
OPRK1 P41145 1/20 0.35
NLRP3 Q96P20 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL30405953 0.86 KDM4E (0.41) KDM4EALDH1A1KMT2AMEN1MGAM
SCHEMBL29050073 0.86 KDM4E (0.41) KDM4EALDH1A1KMT2AMEN1MGAM
SCHEMBL17362538 0.82 TARBP2 (0.42) CYP2C19KDM4EALDH1A1KMT2AMEN1
SCHEMBL25210087 0.80 HPGD (0.42) CYP1A2CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL30969148 0.80 HPGD (0.42) CYP1A2CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL7863801 0.78 ALDH1A1 (0.44) CYP1A2CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL15897838 0.77 DPP4 (0.42) CYP1A2CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL12018710 0.77 GAA (0.40) CYP1A2KDM4EALDH1A1KMT2AMEN1
SCHEMBL17224823 0.76 GSK3B (0.37) KDM4EALDH1A1POLB
SCHEMBL3695889 0.75 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699065-B Tricyclic compounds and compositions as kinase inhibitors 诺华股份有限公司 2021-08-31 CN disclosed
EP-3390404-B1 TRICYCLIC COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS NOVARTIS AG (CH) 2021-07-21 EP disclosed
EP-3390404-B1 TRICYCLIC COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS NOVARTIS AG (CH) 2021-07-21 EP disclosed
US-10377770-B2 Tricyclic compounds and compositions as kinase inhibitors NOVARTIS AG (CH) 2019-08-13 US disclosed
US-20180362542-A1 TRICYCLIC COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-12-20 US disclosed
EP-3390404-A1 TRICYCLIC COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS Novartis AG (CH) 2018-10-24 EP disclosed
WO-2017103824-A1 TRICYCLIC COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS NOVARTIS AG (CH) 2017-06-22 WO disclosed
WO-2017103824-A1 TRICYCLIC COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS NOVARTIS AG (CH) 2017-06-22 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-20180362542-A1 TRICYCLIC COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS BRAF, RAF1, MAP3K1 CYP1A2 1165/4885CYP3A4 2073/4885CYP2C19 1507/4885
US-10377770-B2 Tricyclic compounds and compositions as kinase inhibitors BRAF, RAF1, MAP3K1 CYP1A2 1165/4885CYP3A4 2073/4885CYP2C19 1507/4885

“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.