SCHEMBL13658196

SCHEMBL13658196

CCOC1CCN(Cc2cccc3c2Cc2c-3[nH]c(=O)c3ccccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
PARP1 P09874 7/20 0.37
ACHE P22303 1/20 0.37
KIT P10721 1/20 0.36
FLT1 P17948 1/20 0.36
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL13658195 0.87 ACHE (0.51) KDRCCNB2CDK1CCNB1GSK3B
SCHEMBL2780156 0.85 KDR (0.37) KDRPARP1KITFLT1ALDH1A1
SCHEMBL3049564 0.81 KDR (0.35) KDRPARP1KITFLT1ALDH1A1
SCHEMBL10255638 0.78 CCNB2 (0.53) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL3049565 0.78 SPR (0.32) KDRKITFLT1
SCHEMBL3060552 0.72 HRH3 (0.39) KDRPARP1KITFLT1OPRM1
SCHEMBL14097215 0.72 CA1 (0.45) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2783628 0.71 PARP1 (0.46) KDRPARP1ACHEKITFLT1
SCHEMBL3060198 0.70 KDR (0.39) KDRPARP1KITFLT1
SCHEMBL2778696 0.69 KDR (0.40) KDRPARP1KITFLT1MAPT

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-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 (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-20090257999-A1 Method of preventing contrast-induced nephropathy PARP1, PARP2, PARP3 KDR 3881/4885CCNB2 3302/4885CDK1 3493/4885

“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.