SCHEMBL7907427

SCHEMBL7907427

O=c1[nH]c2c(c3c1CCCC3)Cc1c(CN3CCS(=O)(=O)CC3)cccc1-2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.35
PARP1 P09874 8/20 0.34
TNKS O95271 5/20 0.34
TNKS2 Q9H2K2 5/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KIT P10721 1/20 0.33
FLT1 P17948 1/20 0.33
BRD4 O60885 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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 0.90 KDR (0.42) KDRPARP1TNKSTNKS2
Hydrochloric Acid SCHEMBL3059839 0.89 KDR (0.41) KDRPARP1TNKSTNKS2
SCHEMBL2797200 0.89 KDR (0.41) KDRPARP1TNKSTNKS2CYP1A2
SCHEMBL2780726 0.89 KDR (0.41) KDRPARP1TNKSTNKS2CYP1A2
SCHEMBL2782051 0.89 KDR (0.41) KDRPARP1TNKSTNKS2CYP1A2
Hydrochloric Acid SCHEMBL3055083 0.88 KDR (0.40) KDRPARP1TNKSTNKS2CYP1A2
Hydrochloric Acid SCHEMBL3060187 0.88 KDR (0.40) KDRPARP1TNKSTNKS2CYP1A2
SCHEMBL3065731 0.87 LMNA (0.41) KDRKMT2AMEN1PARP1TNKS
SCHEMBL3060198 0.85 KDR (0.39) KDRPARP1TNKSTNKS2KIT
SCHEMBL2781413 0.84 KDR (0.40) KDRPARP1TNKSTNKS2KIT

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 3 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
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 97/4885KMT2A 4334/4885MEN1 3033/4885

“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.