SCHEMBL8913209

SCHEMBL8913209

O=Cc1c[nH]nc1-c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
IDO1 P14902 2/20 0.41
HTR7 P34969 2/20 0.40
RXFP1 Q9HBX9 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PDE4B Q07343 3/20 0.36
NISCH Q9Y2I1 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
ADORA2A P29274 1/20 0.36
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
TDO2 P48775 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL1336301 0.83 ERN1 (0.35) NOTUMNISCH
SCHEMBL27790305 0.83 GP6 (0.39) NISCH
SCHEMBL28220671 0.81 NOTUM (0.41) NOTUMIDO1HTR7NISCHJAK2
SCHEMBL28119110 0.81 NOTUM (0.45) NOTUMIDO1PDE4BADORA2AMAPK13
SCHEMBL8912952 0.80 TDO2 (0.46) TDO2
SCHEMBL8912957 0.80 TDO2 (0.46) TDO2
SCHEMBL1335198 0.80 PTGS2 (0.45) IDO1
SCHEMBL28214966 0.74 DCLRE1B (0.47) NOTUMIDO1JAK2JAK3
SCHEMBL22094682 0.74 MAPT (0.44)
SCHEMBL28052759 0.73 CYP11B2 (0.46) NOTUMIDO1HTR7PDE4BNISCH

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-9475831-B2 Formylpyrrole-based heterocycles for nucleic acid attachment to supports ILLUMINA, INC. (US) 2016-10-25 US disclosed
US-20160137677-A1 FORMYLPYRROLE-BASED HETEROCYCLES FOR NUCLEIC ACID ATTACHMENT TO SUPPORTS ILLUMINA, INC. 2016-05-19 US disclosed
US-9273074-B2 Formylpyrrole-based heterocycles for nucleic acid attachment to supports ILLUMINA, INC. (US) 2016-03-01 US disclosed
US-20150031833-A1 FORMYLPYRROLE-BASED HETEROCYCLES FOR NUCLEIC ACID ATTACHMENT TO SUPPORTS ILLUMINA, INC. 2015-01-29 US disclosed
US-8883764-B1 Formylpyrrole-based heterocycles for nucleic acid attachment to supports ILLUMINA, INC. (US) 2014-11-11 US disclosed
US-5606073-A INTERMEDIATES FOR ADENOSINE ANTAGONISTS EISAI CO., LTD. (JP) 1997-02-25 US disclosed
US-5541213-A ADENOSINE A1 RECEPTOR ANTAGONISTS, TREATMENT OF KIDNEY DISORDERS EISAI CO., LTD. (JP) 1996-07-30 US disclosed
CN-1111622-A Propenoic acid derivaties EISAI CO LTD (JP) 1995-11-15 CN disclosed
EP-0630894-A1 Propenoic acid derivatives as adenosine A1 antagonists Eisai Co., Ltd. (JP) 1994-12-28 EP 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-20150031833-A1 FORMYLPYRROLE-BASED HETEROCYCLES FOR NUCLEIC ACID ATTACHMENT TO SUPPORTS CCNY, FBL, NSUN2 NOTUM 3825/4885IDO1 3061/4885HTR7 2617/4885
US-20160137677-A1 FORMYLPYRROLE-BASED HETEROCYCLES FOR NUCLEIC ACID ATTACHMENT TO SUPPORTS CCNY, FBL, NSUN2 NOTUM 3825/4885IDO1 3061/4885HTR7 2617/4885

“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.