SCHEMBL2778366

SCHEMBL2778366

O=c1[nH]c2c(c3c1CCCC3)Cc1c(CN3CC[C@H](F)C3)cccc1-2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.36
KIT P10721 1/20 0.36
FLT1 P17948 1/20 0.36
DHODH Q02127 1/20 0.36
PARP1 P09874 5/20 0.34
LTA4H P09960 1/20 0.33
TNKS O95271 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
HRH3 Q9Y5N1 3/20 0.33
CNR2 P34972 1/20 0.32
BRD4 O60885 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
SCN1A P35498 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN8A Q9UQD0 1/20 0.32

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
SCHEMBL3059023 1.00 KDR (0.36) KDRKITFLT1DHODHPARP1
SCHEMBL2778363 1.00 KDR (0.36) KDRKITFLT1DHODHPARP1
Hydrochloric Acid SCHEMBL3049991 0.99 KDR (0.36) KDRKITFLT1DHODHPARP1
Hydrochloric Acid SCHEMBL3049990 0.99 KDR (0.36) KDRKITFLT1DHODHPARP1
SCHEMBL3060198 0.95 KDR (0.39) KDRKITFLT1PARP1TNKS
SCHEMBL3054604 0.93 DHODH (0.37) KDRKITFLT1DHODHPARP1
SCHEMBL3049186 0.93 DHODH (0.37) KDRKITFLT1DHODHPARP1
SCHEMBL3049179 0.93 DHODH (0.37) KDRKITFLT1DHODHPARP1
SCHEMBL2778696 0.87 KDR (0.40) KDRKITFLT1PARP1TNKS
SCHEMBL2783628 0.87 PARP1 (0.46) KDRKITFLT1PARP1TNKS

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 10 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
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 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
US-20090257999-A1 Method of preventing contrast-induced nephropathy INOTEK PHARMACEUTICALS CORPORATION (US) 2009-10-15 US disclosed
US-20090257999-A1 Method of preventing contrast-induced nephropathy INOTEK PHARMACEUTICALS CORPORATION (US) 2009-10-15 US disclosed
WO-2009088860-A2 A METHOD OF PREVENTING CONTRAST-INDUCED NEPHROPATHY INOTEK PHARMACEUTICALS CORPORATION (US) 2009-07-16 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 (2 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-20090257999-A1 Method of preventing contrast-induced nephropathy PARP1, PARP2, PARP3 KDR 3881/4885KIT 2489/4885FLT1 2179/4885
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.