SCHEMBL2778554

SCHEMBL2778554

O=c1[nH]c2c(c3c1CCCC3)Cc1c(CN3CCC(N4CCCC4)CC3)cccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
CHRM1 P11229 8/20 0.40
DRD2 P14416 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
PARP1 P09874 5/20 0.38
MBTD1 Q05BQ5 2/20 0.38
L3MBTL3 Q96JM7 2/20 0.38
KDR P35968 2/20 0.37
KIT P10721 1/20 0.37
FLT1 P17948 1/20 0.37

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
SCHEMBL3054582 0.99 L3MBTL1 (0.46) L3MBTL1ALDH1A1TSHRRECQLCHRM1
Hydrochloric Acid SCHEMBL3054664 0.98 L3MBTL1 (0.45) L3MBTL1ALDH1A1TSHRRECQLCHRM1
SCHEMBL3044061 0.94 VEGFA (0.40) L3MBTL1ALDH1A1TSHRRECQLCHRM1
SCHEMBL3063874 0.93 VEGFA (0.41) L3MBTL1ALDH1A1TSHRRECQLCHRM1
SCHEMBL3066815 0.89 KDR (0.42) ALDH1A1PARP1KDR
SCHEMBL3060198 0.89 KDR (0.39) CHRM1PARP1KDRKITFLT1
SCHEMBL2780726 0.88 KDR (0.41) ALDH1A1PARP1KDR
SCHEMBL2797200 0.88 KDR (0.41) ALDH1A1PARP1KDR
SCHEMBL2782051 0.88 KDR (0.41) ALDH1A1PARP1KDR
Hydrochloric Acid SCHEMBL3059839 0.88 KDR (0.41) ALDH1A1PARP1KDR

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 6 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
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 L3MBTL1 1081/4885ALDH1A1 46/4885TSHR 2570/4885

“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.