SCHEMBL1821797

SCHEMBL1821797

COC(=O)C1=C(NC(N)=O)Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR4 P22455 2/20 0.39
FGFR3 P22607 2/20 0.39
SRC P12931 1/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
CYP1A2 P05177 1/20 0.38
ADRA2A P08913 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
TRPA1 O75762 4/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL11981772 0.83 SRD5A2 (0.41) ALDH1A1HPGDL3MBTL1RAB9ANPC1
SCHEMBL12550200 0.78 HTR2B (0.42) KDM4EALDH1A1RAB9ANPC1CYP1A2
SCHEMBL8028626 0.76 FGFR1 (0.44) FGFR1FGFR2FGFR4FGFR3SRC
SCHEMBL13938552 0.76 KMT2A (0.45) KDM4EALDH1A1HPGDL3MBTL1RAB9A
Fluorene SCHEMBL147376 0.72 HTR2B (0.51) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL11099181 0.69 ALDH1A1 (0.52) FGFR1FGFR2FGFR4FGFR3SRC
SCHEMBL12255634 0.69 ALDH1A1 (0.43) KDM4EALDH1A1HPGDL3MBTL1RAB9A
SCHEMBL6654078 0.69 ALDH1A1 (0.52) FGFR1FGFR2FGFR4FGFR3SRC
SCHEMBL12255635 0.69 CYP1A2 (0.40) KDM4EALDH1A1HPGDL3MBTL1RAB9A
Fluorene SCHEMBL2708609 0.68 TSHR (0.68) KDM4EALDH1A1HPGDL3MBTL1RAB9A

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
US-8471010-B2 Synthesis of dihydrothieno[3,2-d]pyrimidine diols BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-25 US disclosed
US-8471010-B2 Synthesis of dihydrothieno[3,2-d]pyrimidine diols BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-25 US disclosed
EP-2315755-B1 SYNTHESIS OF DIHYDROTHIENO[3,2-d]PYRIMIDINE DIOLS AND SIMILAR PYRIMIDINE DIOLS BOEHRINGER INGELHEIM INT (DE) 2012-08-08 EP disclosed
US-20110130563-A1 SYNTHESIS IF DIHYDROTHIENO[3,2-D]PYRIMIDINE DIOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-20110130563-A1 SYNTHESIS IF DIHYDROTHIENO[3,2-D]PYRIMIDINE DIOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
EP-2315755-A2 SYNTHESIS OF DIHYDROTHIENO[3,2-d]PYRIMIDINE DIOLS AND SIMILAR PYRIMIDINE DIOLS Boehringer Ingelheim International GmbH (DE) 2011-05-04 EP disclosed
WO-2009140127-A2 SYNTHESIS OF DIHYDROTHIENO[3,2-d]PYRIMIDINE DIOLS AND SIMILAR PYRIMIDINE DIOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed
WO-2009140127-A2 SYNTHESIS OF DIHYDROTHIENO[3,2-d]PYRIMIDINE DIOLS AND SIMILAR PYRIMIDINE DIOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 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-20110130563-A1 SYNTHESIS IF DIHYDROTHIENO[3,2-D]PYRIMIDINE DIOLS DPYD, DHODH, PDE4B FGFR1 2459/4885FGFR2 2497/4885FGFR4 630/4885

“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.