SCHEMBL1298527

SCHEMBL1298527

CSc1nc(C=CN(C)C)c(C(=O)O)c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
TAS2R14 Q9NYV8 3/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 0.32
CSNK2A1 P68400 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 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
SCHEMBL1298526 1.00 PPARG (0.38) PPARGAKR1C3AKR1C2TAS2R14KDM4E
SCHEMBL1298821 0.90 LMNA (0.44) PPARGAKR1C3AKR1C2LMNACSNK2A1
SCHEMBL1298823 0.90 LMNA (0.44) PPARGAKR1C3AKR1C2LMNACSNK2A1
SCHEMBL12106915 0.87 TP53 (0.40) KDM4EMAPK1LMNAGABRPGABRD
SCHEMBL12103798 0.82 TP53 (0.39) TAS2R14KDM4EMAPK1LMNAGABRP
SCHEMBL28124839 0.80 PPARG (0.43) PPARGAKR1C3AKR1C2TAS2R14KDM4E
SCHEMBL16964208 0.80 LMNA (0.45) PPARGKDM4EMAPK1LMNACSNK2A1
SCHEMBL16964209 0.80 LMNA (0.45) PPARGKDM4EMAPK1LMNACSNK2A1
SCHEMBL1298923 0.71 MEN1 (0.34) PPARGKDM4EMAPK1LMNAMEN1
SCHEMBL1298922 0.71 MEN1 (0.34) PPARGKDM4EMAPK1LMNAMEN1

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-8404677-B2 Kinase inhibitors GENOSCO (US) 2013-03-26 US disclosed
EP-2493313-A1 KINASE INHIBITORS Genosco (US) 2012-09-05 EP disclosed
US-20110269739-A1 KINASE INHIBITORS OSCOTEC, INC. (KR) 2011-11-03 US disclosed
WO-2011053861-A1 KINASE INHIBITORS GENOSCO (US) 2011-05-05 WO 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-20110269739-A1 KINASE INHIBITORS JAK1, LCK, MAP3K20 PPARG 2315/4885AKR1C3 1710/4885AKR1C2 1180/4885

“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.