SCHEMBL14760730

SCHEMBL14760730

CNC(=O)C=Cc1cccc(Nc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
ITK Q08881 1/20 0.46
TP53BP1 Q12888 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SYK P43405 3/20 0.44
KDR P35968 4/20 0.43
TNNI3K Q59H18 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL14024428 1.00 MAOB (0.53) MAOBMAOAITKTP53BP1NPC1
SCHEMBL14024407 0.89 MAOB (0.48) MAOBMAOAITKNPC1RAB9A
SCHEMBL14760542 0.89 MAOB (0.48) MAOBMAOAITKNPC1RAB9A
SCHEMBL14024555 0.85 KDR (0.57) MAOBMAOASYKKDR
SCHEMBL14760641 0.85 KDR (0.57) MAOBMAOASYKKDR
SCHEMBL14024645 0.85 KDR (0.45) ITKSYKKDRHDAC3HDAC4
SCHEMBL14760574 0.85 KDR (0.45) ITKSYKKDRHDAC3HDAC4
SCHEMBL4874875 0.82 NPC1 (0.56) MAOBMAOANPC1RAB9ASYK
SCHEMBL849257 0.80 SYK (0.62) NPC1RAB9ASYKKDR
SCHEMBL3458526 0.80 SYK (0.69) ITKNPC1RAB9ASYKKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2154967-B9 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2014-07-23 EP claimed
EP-2154967-B1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2014-03-05 EP claimed
US-8901143-B2 Pyrimidine derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2014-12-02 US disclosed
EP-2154967-B9 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2014-07-23 EP disclosed
EP-2154967-B1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2014-03-05 EP disclosed
US-20130065890-A1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED 2013-03-14 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 (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-20130065890-A1 PYRIMIDINE DERIVATIVES TYMS, KDR, FLT4 MAOB 633/4885MAOA 1392/4885ITK 1244/4885

“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.