SCHEMBL4091272

SCHEMBL4091272

Clc1nc(-c2cccc3c2[nH]c2ccccc23)nc(-c2cccc3c2[nH]c2ccccc23)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
KIF11 P52732 4/20 0.46
PARP14 Q460N5 10/20 0.45
TDO2 P48775 3/20 0.43
IDO1 P14902 2/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 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
SCHEMBL28403751 0.97 BCHE (0.49) BCHEKIF11PARP14TDO2IDO1
SCHEMBL30519854 0.97 BCHE (0.49) BCHEKIF11PARP14TDO2IDO1
SCHEMBL28979613 0.93 TDO2 (0.44) BCHEKIF11PARP14TDO2IDO1
SCHEMBL980073 0.92 BCHE (0.55) BCHEKIF11PARP14TDO2GABRP
SCHEMBL31257106 0.87 BCHE (0.40) BCHEKIF11PARP14TDO2IDO1
SCHEMBL30804914 0.86 TDO2 (0.43) BCHEKIF11PARP14TDO2IDO1
SCHEMBL23098999 0.84 TDO2 (0.50) BCHEKIF11PARP14TDO2IDO1
SCHEMBL28799492 0.84 BCHE (0.49) BCHEKIF11PARP14TDO2IDO1
SCHEMBL29522120 0.84 TDO2 (0.50) BCHEKIF11PARP14TDO2IDO1
SCHEMBL30804916 0.83 TDO2 (0.44) BCHEKIF11PARP14TDO2IDO1

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-8597803-B2 Light emitting devices and compositions NITTO DENKO CORPORATION (JP) 2013-12-03 US disclosed
US-20120273765-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2012-11-01 US disclosed
US-20090179552-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2009-07-16 US 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-20090179552-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS CYBA, LIMA1, CRY1 BCHE 2956/4885KIF11 3392/4885PARP14 3338/4885
US-20120273765-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS CYBA, LIMA1, CRY1 BCHE 2956/4885KIF11 3392/4885PARP14 3338/4885

“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.