SCHEMBL5080918

SCHEMBL5080918

CC(C)=Nc1cc(N)c(N=C(C)C)cc1N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.32
▸ NOS3 P29474 2/20 0.31
▸ NOS2 P35228 2/20 0.31
▸ PTK2 Q05397 1/20 0.30

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
SCHEMBL5703601 0.95 PTK2 (0.40) NOS1PTK2
SCHEMBL5080917 0.92 PTK2 (0.35) NOS1NOS3NOS2PTK2
SCHEMBL5832862 0.89 PTK2 (0.37) NOS1NOS3NOS2PTK2
SCHEMBL5080855 0.79 KMT2A (0.42) NOS1NOS3NOS2
SCHEMBL5475452 0.77 KMT2A (0.41) —
SCHEMBL5080880 0.76 NOS1 (0.32) NOS1NOS3NOS2
SCHEMBL12568931 0.72 GAA (0.54) NOS1NOS3NOS2
SCHEMBL5080857 0.68 TDP1 (0.52) —
SCHEMBL5081785 0.67 — —
SCHEMBL5080959 0.67 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462471-B1 Dielectric films and materials therefor DAICEL CHEM (JP) 2008-07-30 — — EP disclosed
US-20070078256-A1 Prepolymers, prepolymer compositions, high-molecular-weight polymers with pore structure, and dielectric films DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-05 — — US disclosed
US-7186454-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-06 — — US disclosed
US-20070032556-A1 Aromatic polyamine derivative DAICEL CHEMICAL INSUSTRIES, LTD. (JP) 2007-02-08 — — US disclosed
US-20070032556-A1 Aromatic polyamine derivative DAICEL CHEMICAL INSUSTRIES, LTD. (JP) 2007-02-08 — — US disclosed
US-20070032556-A1 Aromatic polyamine derivative DAICEL CHEMICAL INSUSTRIES, LTD. (JP) 2007-02-08 — — US disclosed
EP-1683822-A1 PREPOLYMER, PREPOLYMER COMPOSITION, HIGH MOLECULAR WEIGHT POLYMER HAVING STRUCTURE CONTAINING HOLE AND ELECTRICALLY INSULATING FILM Daicel Chemical Industries, Ltd. (JP) 2006-07-26 — — EP disclosed
EP-1681284-A1 AROMATIC POLYAMINE DERIVATIVE Daicel Chemical Industries, Ltd. (JP) 2006-07-19 — — EP disclosed
EP-1462471-A1 Dielectric films and materials thereof Daicel Chemical Industries, Ltd. (JP) 2004-09-29 — — EP disclosed
US-20040175858-A1 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-09 — — 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 (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-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 NOS1 519/4885NOS3 738/4885NOS2 870/4885

“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.

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