SCHEMBL3065731

SCHEMBL3065731

O=c1[nH]c2c(c3c1CCCC3)Cc1c(CN3CCNCC3)cccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
KDR P35968 2/20 0.40
TNKS O95271 4/20 0.38
PIM1 P11309 1/20 0.37
PARP1 P09874 6/20 0.36
CXCR4 P61073 3/20 0.36
KIT P10721 1/20 0.36
FLT1 P17948 1/20 0.36
TNKS2 Q9H2K2 3/20 0.35
MEN1 O00255 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2C P18825 1/20 0.35
CCR2 P41597 1/20 0.35
CXCL12 P48061 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR6 P50406 1/20 0.34

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
SCHEMBL3066815 0.92 KDR (0.42) KDRTNKSPARP1TNKS2
SCHEMBL2782051 0.91 KDR (0.41) KDRTNKSPARP1TNKS2
SCHEMBL2780726 0.91 KDR (0.41) KDRTNKSPARP1TNKS2
SCHEMBL2797200 0.91 KDR (0.41) KDRTNKSPARP1TNKS2
Hydrochloric Acid SCHEMBL3059839 0.91 KDR (0.41) KDRTNKSPARP1TNKS2
Hydrochloric Acid SCHEMBL3060187 0.90 KDR (0.40) KDRTNKSPARP1TNKS2
Hydrochloric Acid SCHEMBL3055083 0.90 KDR (0.40) KDRTNKSPARP1TNKS2
SCHEMBL3060198 0.87 KDR (0.39) KDRTNKSPARP1KITFLT1
SCHEMBL7907427 0.87 KDR (0.41) LMNAKDRTNKSPARP1KIT
SCHEMBL2781413 0.86 KDR (0.40) KDRTNKSPARP1KITFLT1

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-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 claimed
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

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 LMNA 1568/4885KDR 97/4885TNKS 780/4885

“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.