SCHEMBL834862

SCHEMBL834862

COc1cccc(-c2cnn3c(Br)cnc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.48
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
DYRK1A Q13627 2/20 0.44
CLK4 Q9HAZ1 1/20 0.44
FYN P06241 10/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
EGLN1 Q9GZT9 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 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
SCHEMBL835671 0.82 MAOB (0.49) EGLN1
SCHEMBL835641 0.75 FYN (0.49) EGLN2DYRK1AFYN
SCHEMBL835516 0.75 FYN (0.70) FYN
SCHEMBL835537 0.74 BRAF (0.48) EGLN2DYRK1AFYN
SCHEMBL836775 0.74 FYN (0.54) DYRK1AFYN
SCHEMBL837839 0.74 FGFR1 (0.65) PDGFRBFYN
SCHEMBL834014 0.72 MKNK1 (0.41) PDGFRBPDGFRADYRK1AFYN
SCHEMBL25415048 0.71 FGFR1 (0.47) FYN
SCHEMBL2406367 0.70 DYRK1A (0.54) PDGFRBPDGFRADYRK1ACLK4FYN
SCHEMBL196765 0.70 CYP3A4 (0.73) DYRK1ACLK4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 EP disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
EP-2183027-A1 ORGANIC COMPOUNDS Novartis Ag (CH) 2010-05-12 EP disclosed
EP-2176433-A2 DESATURASES AND METHODS FOR PRODUCING POLYUNSATURATED FATTY ACIDS IN TRANSGENIC ORGANISMS BASF Plant Science GmbH (DE) 2010-04-21 EP disclosed
WO-2009016202-A2 DESATURASES AND METHODS FOR PRODUCING POLYUNSATURATED FATTY ACIDS IN TRANSGENIC ORGANISMS BASF PLANT SCIENCE GMBH (DE) 2009-02-05 WO disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 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-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 EGLN2 3299/4885PDGFRB 434/4885PDGFRA 355/4885

“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.