SCHEMBL4554698

SCHEMBL4554698

CC(C)(C)c1ccc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)cc1NC(=O)CN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 7/20 0.54
KDR P35968 1/20 0.52
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 1/20 0.49
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
HSD17B10 Q99714 1/20 0.44
EGFR P00533 2/20 0.44
PTK2 Q05397 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAOB P27338 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
HPGD P15428 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
SCHEMBL4553908 0.94 KDR (0.54) WNT3AKDRROCK2ROCK1HSD17B10
SCHEMBL6054219 0.90 KDR (0.53) WNT3AKDRROCK2ROCK1PDGFRB
SCHEMBL3889998 0.90 KDR (0.51) WNT3AKDRROCK2ROCK1PDGFRB
SCHEMBL3898254 0.85 KDR (0.51) KDRROCK2ROCK1PDGFRBPDGFRA
SCHEMBL4554773 0.85 KDR (0.57) KDRROCK2ROCK1EGFRKDM4E
SCHEMBL3894031 0.83 KDR (0.58) KDRROCK2ROCK1EGFRKDM4E
SCHEMBL3890026 0.83 KDR (0.57) KDRROCK2ROCK1PDGFRBPDGFRA
SCHEMBL3891570 0.81 KDR (0.58) KDRROCK2ROCK1EGFRKDM4E
SCHEMBL3891778 0.81 KDR (0.53) KDRROCK2ROCK1PDGFRBPDGFRA
Hydrochloric Acid SCHEMBL3896853 0.80 KDR (0.52) KDRROCK2ROCK1PDGFRBPDGFRA

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
JP-4392348-B2 2009-12-24 JP claimed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US claimed
JP-2006502118-A 2006-01-19 JP claimed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP claimed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO claimed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US claimed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 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-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 WNT3A 3577/4885KDR 13/4885ROCK2 1825/4885

“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.