SCHEMBL6816339

SCHEMBL6816339

N#C/C(=N\Nc1ccccc1Br)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
HTT P42858 6/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HPGD P15428 2/20 0.48
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
ALOX12 P18054 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 4/20 0.40
GFER P55789 1/20 0.40
PTK2B Q14289 1/20 0.40

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
SCHEMBL6816346 1.00 MAPT (0.49) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1963333 0.82 MAPT (0.46) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1963334 0.82 MAPT (0.46) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL15286118 0.80 MAPT (0.45) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL15285773 0.80 MAPT (0.45) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1963716 0.79 MAPT (0.43) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1963715 0.79 MAPT (0.43) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1960745 0.78 SMN1; SMN2 (0.42) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1960746 0.78 SMN1; SMN2 (0.42) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1960421 0.78 MEN1 (0.58) MAPTHTTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365566-B2 Cinnoline derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-14 US disclosed
US-9365566-B2 Cinnoline derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-14 US disclosed
US-9365566-B2 Cinnoline derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-14 US disclosed
US-20150038510-A1 CINNOLINE DERIVATIVES TAKEDA CALIFORNIA, INC. 2015-02-05 US disclosed
US-20150038510-A1 CINNOLINE DERIVATIVES TAKEDA CALIFORNIA, INC. 2015-02-05 US disclosed
US-20150038510-A1 CINNOLINE DERIVATIVES TAKEDA CALIFORNIA, INC. 2015-02-05 US disclosed
WO-2013148603-A1 CINNOLINE DERIVATIVES AS AS BTK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 WO disclosed
WO-2013148603-A1 CINNOLINE DERIVATIVES AS AS BTK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 WO disclosed
WO-2004016615-A1 PYRAZOLO (4,3c) CINNOLINE COMPOUNDS AS INHIBITORS OF ITK KINASE ACTIVITY ASTRAZENECA AB (SE) 2004-02-26 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 (1 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-20150038510-A1 CINNOLINE DERIVATIVES BTK, LYN, ABL1 MAPT 4199/4885HTT 3454/4885MEN1 233/4885

“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.