SCHEMBL4753880

SCHEMBL4753880

O=c1cc(N2CCNCC2)c2cnccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.61
LATS1 O95835 1/20 0.48
MAPT P10636 1/20 0.46
KDM5A P29375 1/20 0.42
NCF1 P14598 2/20 0.41
ADRB2 P07550 1/20 0.41
PLD1 Q13393 1/20 0.41
FEN1 P39748 1/20 0.41
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
PARP1 P09874 1/20 0.40
CHRNB2 P17787 1/20 0.40

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
SCHEMBL4751829 0.89 KDR (0.58) KDRLATS1KDM5ANCF1ADRB2
SCHEMBL31521684 0.80 KDR (0.68) KDRNCF1ADRB2BMPR1BACVRL1
SCHEMBL5124241 0.80 KDR (0.68) KDRNCF1ADRB2BMPR1BACVRL1
Hydrochloric Acid SCHEMBL9128302 0.78 KDR (0.66) KDRNCF1ADRB2BMPR1BACVRL1
SCHEMBL4752641 0.75 KDR (0.51) KDRLATS1MAPTNCF1ADRB2
SCHEMBL30059061 0.73 KDR (0.59) KDRNCF1ADRB2DRD2DRD4
SCHEMBL30059045 0.73 KDR (0.80) KDRFEN1DRD2DRD4DRD3
SCHEMBL20128552 0.72 MAPT (0.51) MAPTNCF1ADRB2PLD1CHRNB2
SCHEMBL4754853 0.72 KDR (0.54) KDRMAPTNCF1ADRB2PLD1
SCHEMBL29498328 0.71 TNKS2 (0.56) MAPTKDM5AFEN1PARP1PDE3B

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
EP-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 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-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 KDR 768/4885LATS1 3630/4885MAPT 2560/4885

“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.