SCHEMBL545910

SCHEMBL545910

COc1cc(NC(=O)c2ccc3ccc(Oc4ccnc(C5=NCCN5)c4)cc3c2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLAU P00749 3/20 0.43
PLG P00747 2/20 0.43
PLAT P00750 1/20 0.43
KDR P35968 2/20 0.43
PARP1 P09874 1/20 0.42
NPC1 O15118 2/20 0.41
THRB P10828 1/20 0.41
TMPRSS4 Q9NRS4 2/20 0.40
P2RX1 P51575 1/20 0.40
TEK Q02763 1/20 0.40
POLB P06746 2/20 0.40
NR2E1 Q9Y466 1/20 0.40
HTT P42858 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL10199859 0.90 BRAF (0.43) MAPTKDM4EKDR
SCHEMBL546099 0.88 KDR (0.44) KDR
SCHEMBL545887 0.88 KDR (0.51) MAPTPLAUPLGPLATKDR
SCHEMBL10199786 0.86 KDR (0.51) KDR
SCHEMBL10199733 0.83 KDR (0.42) KDM4ETDP1KDRPOLB
SCHEMBL10199947 0.82 BRAF (0.47) KDRTEK
SCHEMBL545637 0.82 KDR (0.52) MAPK1KDRTEK
SCHEMBL10199956 0.82 RAF1 (0.49) MAPTKDRNPC1HTTRAB9A
SCHEMBL545439 0.81 MAPK14 (0.44) KDR
SCHEMBL545010 0.80 KDR (0.50) KDM4EMAPK1TDP1KDRTEK

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-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 MAPT 2178/4885KDM4E 1104/4885GAA 1352/4885

“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.