SCHEMBL837859

SCHEMBL837859

c1cc(-c2cnn3ccnc3c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.49
KDR P35968 7/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
PDGFRB P09619 6/20 0.42
PDGFRA P16234 6/20 0.42
EGFR P00533 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MKNK1 Q9BUB5 1/20 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
SCHEMBL1691461 0.83 TGFBR1 (0.43) DYRK1AKDRPDGFRBPDGFRAPIK3CA
SCHEMBL836613 0.80 DYRK1A (0.37) DYRK1AKDRPDGFRBPDGFRAEGFR
SCHEMBL837258 0.80 DYRK1A (0.31) DYRK1AKDR
SCHEMBL9950069 0.74 ALDH1A1 (0.45) KDRPDGFRBPDGFRAEGFRMAPT
SCHEMBL3196029 0.70 DYRK1A (0.58) DYRK1AKDREGFRPIK3CDPIK3CA
SCHEMBL9949908 0.69 CHRM5 (0.32) DYRK1AKDR
SCHEMBL22747528 0.69 APOBEC3A (0.33) DYRK1AKDR
SCHEMBL134455 0.69 NOS3 (0.34) DYRK1AKDRLMNAKDM4E
SCHEMBL15601183 0.69 SMPD3 (0.37) DYRK1AKDR
SCHEMBL19130967 0.69 DGAT1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
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
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
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US 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
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 DYRK1A 3776/4885KDR 60/4885FLT1 208/4885

“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.