SCHEMBL868445

SCHEMBL868445

Cc1ccccc1C(=O)Nc1cccc(-c2cncc(C(=O)N=[S@@](C)(=O)C3C=CC=CC3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.40
KCNK9 Q9NPC2 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
KDR P35968 4/20 0.39
PDGFRB P09619 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.37
F2R P25116 1/20 0.37
THRB P10828 1/20 0.37
PIP4K2A P48426 1/20 0.37
PIP4K2B P78356 1/20 0.37

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
SCHEMBL871769 0.88 PIP4K2A (0.49) KDRPDGFRBPIP4K2APIP4K2B
SCHEMBL871283 0.85 MAPT (0.43) KCNK3KCNK9KDM4EPDGFRBRAB9A
SCHEMBL10183187 0.85 CYP17A1 (0.44) KDRPDGFRBPIP4K2APIP4K2B
SCHEMBL871636 0.83 KAT6A (0.40) KDRPDGFRBMAPTPIP4K2APIP4K2B
SCHEMBL11985203 0.83 KAT6A (0.40) KDRPDGFRBMAPTPIP4K2APIP4K2B
SCHEMBL10182185 0.81 KMO (0.41)
SCHEMBL869821 0.79 KDR (0.39) MAPK1KDRPDGFRBKMT2AMEN1
SCHEMBL869138 0.79 XDH (0.35)
SCHEMBL10182211 0.77 SCN10A (0.47) MAPT
SCHEMBL11985268 0.76 MKNK1 (0.34) PIP4K2APIP4K2B

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-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 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 (2 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 KCNK3 1769/4885KCNK9 2468/4885KDM4E 891/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KCNK3 1769/4885KCNK9 2468/4885KDM4E 891/4885

“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.