SCHEMBL6406401

SCHEMBL6406401

CC1(C)CC(c2cccc(NC(=O)Nc3ccc(F)c(F)c3)c2)=NNC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.51
EPHB4 P54760 2/20 0.51
TEK Q02763 2/20 0.51
EGFR P00533 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
KCNJ6 P48051 4/20 0.41
KCNJ5 P48544 4/20 0.41
KCNJ3 P48549 4/20 0.41
CNR1 P21554 7/20 0.41
BRAF P15056 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ACHE P22303 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 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
SCHEMBL6401367 0.73 PDE3B (0.55) KDREPHB4TEKALDH1A1LMNA
SCHEMBL6405194 0.73 MEN1 (0.47) KDRCNR1MEN1KMT2AALDH1A1
SCHEMBL10518939 0.71 PDE3B (0.48) HRH3MEN1KMT2AALDH1A1NPC1
SCHEMBL6405046 0.71 PDE3B (0.44) HRH3MEN1
SCHEMBL20529210 0.69 PDE4B (0.55) HRH3
SCHEMBL5569294 0.68 SMN1; SMN2 (0.53) KDRCNR1MEN1KMT2AALDH1A1
SCHEMBL6405326 0.68 PKM (0.48) NPC1MAPTHTT
SCHEMBL6401844 0.67 GRM5 (0.52) KDRKITFGFR1FLT1KCNJ6
SCHEMBL17286236 0.66 MEN1 (0.77) MEN1KMT2AALDH1A1NPC1LMNA
SCHEMBL30949387 0.66 AURKB (0.51) KDREPHB4TEKCNR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583967-B1 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES AICURIS GMBH & CO KG (DE) 2007-06-27 EP disclosed
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 US disclosed
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 US disclosed
US-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 US 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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK KDR 2962/4885EPHB4 1548/4885TEK 1722/4885
US-20070004735-A1 Method for inhibiting the replication of herpes viruses RPL35, PCNA, MCM5 KDR 2296/4885EPHB4 3470/4885TEK 3479/4885

“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.