SCHEMBL869770

SCHEMBL869770

Cc1cc(C(=O)Nc2cccc(-c3cncc(C(=O)N=S(C)(=O)c4cccc(C(=O)O)c4)c3)c2)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
PDGFRB P09619 4/20 0.38
KDR P35968 4/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
BRAF P15056 1/20 0.37
PIP4K2A P48426 1/20 0.37
PIP4K2B P78356 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL872934 0.94 KDR (0.41) KMT2AMEN1PDGFRBKDRBRAF
SCHEMBL10182506 0.92 KMT2A (0.39) KMT2AMEN1PDGFRBKDRBRAF
SCHEMBL10183846 0.89 PDGFRB (0.36) KMT2AMEN1PDGFRBKDRBRAF
SCHEMBL10182669 0.87 CA1 (0.44) KMT2AMEN1RAB9AGAALMNA
SCHEMBL833567 0.87 KDR (0.54) PDGFRBKDR
SCHEMBL12751009 0.87 KDR (0.54) PDGFRBKDR
SCHEMBL10183811 0.86 ROCK2 (0.38) KMT2AMEN1PDGFRBKDRBRAF
SCHEMBL10183184 0.86 KDR (0.43) KMT2AMEN1PDGFRBKDRCASP3
SCHEMBL10182347 0.86 KDR (0.37) KMT2APDGFRBKDRBRAFPIP4K2A
SCHEMBL869145 0.85 GAA (0.44) BRAFGAASMN1; SMN2

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 KMT2A 1670/4885MEN1 3831/4885PDGFRB 368/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KMT2A 1670/4885MEN1 3831/4885PDGFRB 368/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KMT2A 1670/4885MEN1 3831/4885PDGFRB 368/4885

“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.