SCHEMBL7073405

SCHEMBL7073405

CC(N=C(N)N)Oc1ccc2c(c1)NC(=O)C(CCC(=O)O)C2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.33
GLA P06280 1/20 0.33
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
EIF2AK2 P19525 1/20 0.32

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
SCHEMBL7071204 0.92 GLA (0.33) KDRGLABRD4CREBBP
Hydrochloric Acid SCHEMBL7071454 0.90 GLA (0.33) GLAMAOAMAOBBRD4CREBBP
SCHEMBL7075936 0.79 KDR (0.32) KDR
SCHEMBL7073413 0.75 F10 (0.38) MAOAMAOB
SCHEMBL7075939 0.74 ITGB3 (0.38) MAOAMAOB
SCHEMBL7071533 0.73 ITGB3 (0.37) MAOAMAOB
SCHEMBL4623068 0.71 OPRK1 (0.46)
SCHEMBL7075186 0.71 PDE3B (0.33) KDR
SCHEMBL3467480 0.70 EGFR (0.44) KDRGLABRD4CREBBP
Hydrochloric Acid SCHEMBL7071485 0.69 ITGB3 (0.34)

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
US-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US claimed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 US claimed
US-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 KDR 592/4885GLA 186/4885MAOA 2218/4885

“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.