SCHEMBL2798367

SCHEMBL2798367

O=c1[nH]c2c(c3sccc13)Cc1c(CN3CCC(C(F)(F)F)CC3)cccc1-2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.39
KIT P10721 1/20 0.39
FLT1 P17948 1/20 0.39
NEK1 Q96PY6 2/20 0.35
CRBN Q96SW2 1/20 0.35
IKZF3 Q9UKT9 1/20 0.35
SPR P35270 10/20 0.35
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
KCNH2 Q12809 2/20 0.32
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2794689 0.93 NEK1 (0.39) KDRKITFLT1NEK1CRBN
SCHEMBL13086411 0.78 CCNB2 (0.40) NEK1
SCHEMBL2794799 0.77 PNMT (0.40) NEK1
SCHEMBL2846960 0.77 CA1 (0.34) NEK1
SCHEMBL2801077 0.76 ALDH1A1 (0.39) NEK1KDM4EALDH1A1
SCHEMBL7903683 0.74 BRD4 (0.36) NEK1
SCHEMBL13658195 0.72 ACHE (0.51) KDRKITFLT1DRD2DRD3
SCHEMBL3060198 0.70 KDR (0.39) KDRKITFLT1CRBNCNR2
SCHEMBL13086385 0.69 CCNB2 (0.43) NEK1KDM4E
SCHEMBL13658196 0.69 KDR (0.40) KDRKITFLT1DRD2DRD3

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-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 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-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 KDR 97/4885KIT 1281/4885FLT1 68/4885

“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.