SCHEMBL2779985

SCHEMBL2779985

CCCN1CCN(Cc2ccc3c(c2)Cc2c-3[nH]c(=O)c3c2CCCC3)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.46
PARP1 P09874 6/20 0.45
CHEK1 O14757 1/20 0.44
KCNH2 Q12809 3/20 0.41
PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL2780197 0.94 KDR (0.45) KDRPARP1CHEK1KCNH2PARP2
SCHEMBL3064920 0.89 PARP1 (0.48) KDRPARP1CHEK1
SCHEMBL2782521 0.89 KDR (0.44) KDRPARP1CHEK1KCNH2PARP2
SCHEMBL2800496 0.85 NPC1 (0.52) KDRPARP1CHEK1
SCHEMBL3062940 0.84 CHEK1 (0.43) KDRPARP1CHEK1
SCHEMBL2779709 0.83 CHEK1 (0.53) KDRPARP1CHEK1
SCHEMBL2781187 0.83 KDR (0.41) KDRPARP1CHEK1KCNH2
SCHEMBL3054985 0.81 PARP1 (0.40) PARP1
SCHEMBL7904331 0.79 ACHE (0.39) KDRPARP1CHEK1KCNH2
SCHEMBL3059195 0.77 PARP1 (0.45) PARP1CHEK1

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 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
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 97/4885PARP1 245/4885CHEK1 1020/4885

“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.