SCHEMBL5481000

SCHEMBL5481000

N#C/C(=C1\Nc2ccccc2O1)c1ccnc(NCC2CCNCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.40
▸ PAK4 O96013 1/20 0.38
▸ PAK1 Q13153 1/20 0.38
▸ CHEK1 O14757 3/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ VCP P55072 1/20 0.35
▸ USP30 Q70CQ3 2/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ SGK1 O00141 1/20 0.35
▸ RPS6KA5 O75582 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ BLK P51451 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ MAP2K6 P52564 1/20 0.35
▸ MAPK10 P53779 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
SCHEMBL5481003 1.00 HRH4 (0.40) HRH4PAK4PAK1CHEK1CHEK2
Trifluoroacetic Acid SCHEMBL5481008 0.93 SGK1 (0.45) HRH4PAK4PAK1CHEK1VCP
Trifluoroacetic Acid SCHEMBL5481009 0.93 SGK1 (0.45) HRH4PAK4PAK1CHEK1VCP
SCHEMBL8292957 0.88 HRH4 (0.42) HRH4PAK4PAK1VCPROCK2
SCHEMBL6021795 0.86 GRIN2B (0.41) HRH4VCPUSP30ROCK2SGK1
SCHEMBL6021793 0.86 GRIN2B (0.41) HRH4VCPUSP30ROCK2SGK1
SCHEMBL8292639 0.86 GRIN2B (0.40) VCPUSP30
SCHEMBL5477983 0.86 GRIN2B (0.40) VCPUSP30
SCHEMBL5478744 0.86 GRIN2B (0.40) VCPUSP30
SCHEMBL5479121 0.83 KHK (0.37) HRH4CHEK1CHEK2CCNA2CDK2

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
US-20070185104-A1 Benzoxazole acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-09 — — US claimed
US-20070185104-A1 Benzoxazole acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-09 — — US disclosed
US-20070185104-A1 Benzoxazole acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-09 — — US disclosed
US-20070185104-A1 Benzoxazole acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-09 — — 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-20070185104-A1 Benzoxazole acetonitriles PKD1, PC, GPR119 HRH4 1758/4885PAK4 4671/4885PAK1 4223/4885

“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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