SCHEMBL871769

SCHEMBL871769

CC(=O)Nc1cccc(-c2cncc(C(=O)N=[S@@](C)(=O)C3C=CC=CC3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 4/20 0.49
PIP4K2B P78356 3/20 0.49
FYN P06241 3/20 0.41
BRAF P15056 3/20 0.41
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CYP11B2 P19099 1/20 0.39
GRIA2 P42262 1/20 0.38
PDGFRB P09619 2/20 0.38
KDR P35968 2/20 0.38
CHEK1 O14757 1/20 0.38
FGFR1 P11362 1/20 0.38
NEK2 P51955 1/20 0.38
MAPK15 Q8TD08 1/20 0.38
CYP17A1 P05093 4/20 0.38
CYP3A4 P08684 3/20 0.38
NTRK1 P04629 1/20 0.38

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
SCHEMBL10183187 0.90 CYP17A1 (0.44) PIP4K2APIP4K2BPDGFRBKDRCYP17A1
SCHEMBL868445 0.88 KCNK3 (0.40) PIP4K2APIP4K2BPDGFRBKDR
SCHEMBL871283 0.87 MAPT (0.43) PIP4K2APIP4K2BPDGFRB
SCHEMBL10182185 0.86 KMO (0.41)
SCHEMBL871636 0.86 KAT6A (0.40) PIP4K2APIP4K2BCCNCCDK8CYP11B2
SCHEMBL11985203 0.86 KAT6A (0.40) PIP4K2APIP4K2BCCNCCDK8CYP11B2
SCHEMBL11985268 0.81 MKNK1 (0.34) PIP4K2APIP4K2BFYN
SCHEMBL869821 0.80 KDR (0.39) PIP4K2APIP4K2BCCNCCDK8PDGFRB
SCHEMBL871880 0.80 SCN10A (0.40) CCNCCDK8PDGFRBKDR
SCHEMBL11985204 0.80 SCN10A (0.40) CCNCCDK8PDGFRBKDR

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 PIP4K2A 246/4885PIP4K2B 230/4885FYN 75/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 PIP4K2A 246/4885PIP4K2B 230/4885FYN 75/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PIP4K2A 246/4885PIP4K2B 230/4885FYN 75/4885

“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.