SCHEMBL3045256

SCHEMBL3045256

CN(C)Cc1cccc2c1Cc1c-2[nH]c(=O)c2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.38
BRD4 O60885 3/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM2 Q14416 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 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
SCHEMBL3054827 0.88 PARP1 (0.39) PARP1BRD4HPGDTSHRKDM4E
SCHEMBL13086601 0.87 CCNB2 (0.41) PARP1BRD4HPGDTSHRKDM4E
SCHEMBL3057285 0.83 PNMT (0.43) PARP1BRD4HPGDTSHRKDM4E
SCHEMBL7897594 0.83 HPGD (0.36) BRD4HPGDTSHRKDM4EALDH1A1
SCHEMBL2790481 0.83 CHEK1 (0.43) PARP1BRD4HPGDTSHRKDM4E
SCHEMBL7906040 0.81 HPGD (0.34) BRD4HPGDTSHRKDM4EALDH1A1
SCHEMBL7897601 0.81 BRD4 (0.36) BRD4HPGDTSHRKDM4EALDH1A1
SCHEMBL13086583 0.80 PARP1 (0.43) PARP1BRD4HPGDTSHRKDM4E
SCHEMBL3066815 0.79 KDR (0.42) PARP1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL2780726 0.78 KDR (0.41) PARP1HPGDKDM4EALDH1A1HSD17B10

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 PARP1 245/4885BRD4 3381/4885HPGD 514/4885

“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.