SCHEMBL872312

SCHEMBL872312

Cc1ccoc1C(=O)Nc1cccc(-c2cncc(C(=O)N=[S@](=O)(CC(=O)N3CCCC3)c3ccccc3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.51
PDGFRB P09619 9/20 0.51
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10182455 0.94 KDR (0.55) KDRPDGFRB
SCHEMBL870051 0.92 KDR (0.55) KDRPDGFRB
SCHEMBL871557 0.91 KDR (0.59) KDRPDGFRB
SCHEMBL835402 0.89 KDR (0.68) KDRPDGFRB
SCHEMBL849077 0.89 KDR (0.68) KDRPDGFRB
SCHEMBL868554 0.88 KDR (0.53) KDRPDGFRBMEN1NPC1MAPT
SCHEMBL10183614 0.88 KDR (0.55) KDRPDGFRBMEN1NPC1MAPT
SCHEMBL10182337 0.84 KDR (0.63) KDRPDGFRBMEN1NPC1MAPT
SCHEMBL10183847 0.84 KDR (0.54) KDRPDGFRBMEN1NPC1MAPT
SCHEMBL848402 0.84 KDR (0.65) KDRPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 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 (3 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885MEN1 3831/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885MEN1 3831/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885MEN1 3831/4885

“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.