SCHEMBL4751829

SCHEMBL4751829

O=c1cc(N2CCNCC2)c2ccncc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.58
KDM5A P29375 1/20 0.52
LATS1 O95835 1/20 0.51
PRKCH P24723 4/20 0.43
PRKCQ Q04759 4/20 0.43
PRKCB P05771 3/20 0.43
PRKCA P17252 3/20 0.43
PRKCE Q02156 3/20 0.43
PRKCD Q05655 3/20 0.43
PRKD1 Q15139 2/20 0.43
NCF1 P14598 3/20 0.41
ADRB2 P07550 2/20 0.41
PLD1 Q13393 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PRKACA P17612 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
SCHEMBL4753880 0.89 KDR (0.61) KDRKDM5ALATS1PRKCHPRKCQ
SCHEMBL5124241 0.80 KDR (0.68) KDRNCF1ADRB2KDM4ECYP1A2
SCHEMBL31521684 0.80 KDR (0.68) KDRNCF1ADRB2KDM4ECYP1A2
Hydrochloric Acid SCHEMBL9128302 0.78 KDR (0.66) KDRNCF1ADRB2KDM4ECYP1A2
SCHEMBL28290751 0.78 KDM5A (0.44) KDRKDM5ACYP1A2ADORA3CHUK
SCHEMBL30059045 0.76 KDR (0.80) KDRDRD2DRD4DRD3ADRB1
SCHEMBL30059061 0.76 KDR (0.59) KDRNCF1ADRB2CYP1A2CYP3A4
SCHEMBL4752641 0.75 KDR (0.51) KDRLATS1NCF1ADRB2PARP1
SCHEMBL30060433 0.73 KDM4E (0.57) KDRNCF1KDM4EADRB1
SCHEMBL4754853 0.72 KDR (0.54) KDRNCF1ADRB2PLD1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466681-A Tumor necrosis factor alpha inhibitors and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2009-06-24 CN disclosed
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 768/4885KDM5A 4732/4885LATS1 3630/4885

“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.